Category: benzothiophene

Bitter or not BitterPredict, a tool for predicting taste from chemical structure was written by Dagan-Wiener, Ayana;Nissim, Ido;Ben Abu, Natalie;Borgonovo, Gigliola;Bassoli, Angela;Niv, Masha Y.. And the article was included in Scientific Reports in 2017.Safety of 2,5-Dimethylthiophene The following contents are mentioned in the article:

Bitter taste is an innately aversive taste modality that is considered to protect animals from consuming toxic compounds Yet, bitterness is not always noxious and some bitter compounds have beneficial effects on health. Hundreds of bitter compounds were reported (and are accessible via the BitterDB http://bitterdb.agri.huji.ac.il/dbbitter.php), but numerous addnl. bitter mols. are still unknown. The dramatic chem. diversity of bitterants makes bitterness prediction a difficult task. Here we present a machine learning classifier, BitterPredict, which predicts whether a compound is bitter or not, based on its chem. structure. BitterDB was used as the pos. set, and non-bitter mols. were gathered from literature to create the neg. set. Adaptive Boosting (AdaBoost), based on decision trees machine-learning algorithm was applied to mols. that were represented using physicochem. and ADME/Tox descriptors. BitterPredict correctly classifies over 80% of the compounds in the hold-out test set, and 70-90% of the compounds in three independent external sets and in sensory test validation, providing a quick and reliable tool for classifying large sets of compounds into bitter and non-bitter groups. BitterPredict suggests that about 40% of random mols., and a large portion (66%) of clin. and exptl. drugs, and of natural products (77%) are bitter. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Safety of 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The electrophilic substitution of benzothiophene systems is much less regioselective than that of indoles. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP.Safety of 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Evaluation of the thermal properties of diesel oil with low sulfur content was written by Peixoto, Camila G. D.;Fernandes, Valter J. Jr.;Coriolano, Ana C. F.;Araujo, Renkel R.;Fernandes, Glauber J. T.;Araujo, Antonio S.. And the article was included in Journal of Thermal Analysis and Calorimetry in 2018.Name: 2,5-Dimethylthiophene The following contents are mentioned in the article:

The presence of sulfur in diesel causes environmental pollution and corrosion of engines. In order to minimize the consequences of this pollutant, Brazilian laws established the maximum of sulfur content that diesel fuel may contain. To meet these requirements, diesel with a maximum sulfur concentration equal to 10 mg kg^-1 (diesel S10) has been widely marketed in the country. The reduction in sulfur leads to changes in the physicochem. properties of the fuel, which are essential for the performance of road vehicles. This work aims to evaluate the reduction in the sulfur content in diesel fuel using thermogravimetry. Samples of diesel types S10, S500 and S1800, corresponding to 10, 500 and 1800 mg kg^-1 of sulfur content, resp., were tested according to ASTM methods for sp. gr., flash point and sulfur content. Then, these fuels were characterized by thermogravimetry from room temperature up to 500 °C, in helium flow, at heating rates of 5, 10 and 20 °C min^-1. TG and DTG data showed a typical mass loss at ca. 40-320 °C, due to volatilization or distillation of light and medium hydrocarbons. Based on these data, the kinetic behavior of the samples was analyzed and the activation energies (E_a) for decomposition of the samples decreased in the order: S1800 > S500 > S10. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Name: 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene scaffolds are of great importance due to its increased presence in bioactive molecules. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.Name: 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Synthesis, Characterization, and Properties of Iron(II) Spin-Crossover Molecular Photoswitches Functioning at Room Temperature was written by Moertel, Max;Witt, Alexander;Heinemann, Frank W.;Bochmann, Sebastian;Bachmann, Julien;Khusniyarov, Marat M.. And the article was included in Inorganic Chemistry in 2017.Recommanded Product: 2,5-Dimethylthiophene The following contents are mentioned in the article:

Spin-crossover mol. switches [Fe^II(H₂B(pz)₂)₂L] (L = novel phenanthroline-based ligands featuring photochromic diarylethene units; pz = 1-pyrazolyl) were synthesized and thoroughly characterized by variable-temperature x-ray crystallog., Mossbauer spectroscopy, and magnetic measurements. The effect of substituents introduced into the phenanthroline backbone (L2) and into the photochromic diarylethene unit (L3) on photophys. properties of metal-free ligands and spin-crossover Fe(II) complexes 2 and 3, resp., were studied. Both ligands and complexes could be switched with light in solution at room temperature The photocyclization of 2 was accompanied by a high-spin to low-spin photoconversion determined at 19%. The closed-ring isomers of L3 and 3 reveal the lifetimes in the range of minutes, whereas those of L2 and 2 are thermally stable for days in solutions at room temperature The reversibility of the photoswitching can be improved by avoiding the photostationary states. Prospective introduction of anchoring groups to the phenanthroline backbone might allow the construction of chemisorbed self-assembled monolayers of spin-crossover species switchable with light at room temperature This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Recommanded Product: 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is used as starting material for the synthesis of bioactive molecules. The core structure is a part of various pharmaceutical substances and natural products. It is also used in the manufacturing of dyes such as thioindigo.Recommanded Product: 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Enterovirus inhibitory activity of C-8-tert-butyl substituted 4-aryl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-ones was written by Kumar Biswas, Bishyajit;Malpani, Yashwardhan R.;Ha, Neul;Kwon, Do-Hyun;Shin, Jin Soo;Kim, Hae-Soo;Kim, Chonsaeng;Han, Soo Bong;Lee, Chong-Kyo;Jung, Young-Sik. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2017.Safety of Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate The following contents are mentioned in the article:

Members of a series of 4-aryl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-ones were prepared and tested against representative enteroviruses including Human Coxsackievirus B1 (Cox B1), Human Coxsackievirus B3 (Cox B3), human Poliovirus 3 (PV3), human Rhinovirus 14 (HRV14), human Rhinovirus 21 (HRV21) and human Rhinovirus 71 (HRV71). The C-8-tert-Bu group on the tetrahydrobenzene ring in these substances is crucial for their enterovirus activity. One member of this group, 8-(tert-butyl)-4-phenyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one , showed single digit micromolar activities (1.6-8.85 μM) against a spectrum of viruses screened, and the highest selectivity index (SI) values for Cox B1 (>11.2), for Cox B3 (>11.5), and for PV3 (>51.2), resp. In contrast, 8-(tert-butyl)-4-(4-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3a]pyrimidin-5(4H)-one, was the most active analog against the selected HRVs (1.8-2.6 μM), and showed the highest selectivity indexes among the group of compounds tested. The SI values for 8-(tert-butyl)-4-(4-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3a]pyrimidin-5(4H)-one were 11.5 for HRV14, 8.4 for HRV21, and 12.1 for HRV71, resp. This study involved multiple reactions and reactants, such as Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (cas: 95211-67-9Safety of Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate).

Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (cas: 95211-67-9) belongs to benzothiophene derivatives. Benzothiophene scaffolds are of great importance due to its increased presence in bioactive molecules. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.Safety of Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Sulfur in kukersite shale oil: its distribution in shale oil fractions and the effect of gaseous environment was written by Mozaffari, Sepehr;Baird, Zachariah Steven;Jarvik, Oliver. And the article was included in Journal of Thermal Analysis and Calorimetry in 2022.Safety of 2,5-Dimethylthiophene The following contents are mentioned in the article:

In this article, data on the distribution of sulfur in Estonian kukersite shale oil obtained using pyrolysis at temperatures below 520°C were presented. It was found that the highest concentration of sulfur is present in the fractions boiling between about 150 and 190°C. Also, we studied the effect of N₂, N₂/steam, CO₂, and CO₂/steam environments on the distribution of sulfur in pyrolysis products and concentrations of some sulfur compounds in shale oil. The results show that thiophenic compounds comprise most of the sulfur compounds in crude kukersite shale oil. Furthermore, CO₂ increased the concentration of some of the identified sulfur compounds in the shale oil as compared to N₂. The presence of steam increased the concentration of sulfur compounds in the shale oil as compared to dry sweep gases and significantly increased the sulfur concentration in pyrolysis gas. This was also supported by the investigation of the release of H₂S and SO₂ gases during the pyrolysis of oil shale in which steam contributes to an increase in the formation of sulfurous gases. The presence of steam not only enhances the release of sulfur compounds from oil shale, but also causes it to occur at lower temperatures This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Safety of 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The core structure is a part of various pharmaceutical substances and natural products. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.Safety of 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

In vitro antischistosomal activity of Allium cepa L. (red onion) extracts and identification of the essential oil composition by GC-MS was written by Abdel-Lateef, Ezzat;Rabia, Ibrahim;Abdel-Gawad, Mahfouz;El-Sayed, Mortada. And the article was included in Journal of Microbiology, Biotechnology and Food Sciences in 2018.Category: benzothiophene The following contents are mentioned in the article:

Allium cepa L. (red onion) is one of the most famous vegetable crops grown in Egypt due to its medical and nutritional importance. In vitro antischistosomal bioassay of Et acetate (EtOAc) and butanolic (BuOH) fractions derived from methanolic (MeOH) extract of A. cepa as well as the essential oil of plant bulbs was carried out using ascending doses. The chem. constituents of essential oil were further investigated using GC-MS anal. The results revealed that the MeOH extract, EtOAc fraction, BuOH fraction and essential oil have a significant effect on adult Schistosoma mansoni worms. The essential oil of A. cepa gave high worm mortality (%) at the concentration 500 μg/mL (75%), 250 g/mL (50%) and 125 μg/mL (30%) death rate after 24 h. GC-MS anal. of A. cepa essential oil exhibited different chem. volatile constituents such as organosulfur compounds, alcs., acids, esters, furans, phenols, and aldehyde. 3, 5-Diethyl -1, 2, 4-trithiolane (10.17%), 1, 3, 5-trithiolane (7.80%), and 3-(2H-furanone, 2-hexyl-5-methyl) (7.74%) represented the highest contents percent in essential oil of A. cepa bulbs. In conclusion, the bulbs of A. cepa exhibited antischistosomal activities and contain a variety of bioactive chem. constituents and can be considered as a natural antischistosomal agent. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Category: benzothiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Functionalized benzothiophenes are important constructs found in molecules with wide ranging biological activity and in organic materials. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, sertaconazole, and also BTCP.Category: benzothiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Extraction and identification of volatile oil from Chinese chives with GC-MS was written by Li, Shali;Xu, Shuai;Su, Ying;Wang, Lihong;Xu, Yue;Liu, Yang. And the article was included in Shipin Keji in 2019.Safety of 2,5-Dimethylthiophene The following contents are mentioned in the article:

Objective: To extract and analyze the volatile components of Chinese chives in the above ground part, and to provide the basis for the development and utilization of Chinese chive. Method: The process of extracting the volatile oil from Chinese chives by steam distillation was determined by orthogonal test, and its chem. constituents were identified by gas chromatog.-mass spectrometry anal. Result: The optimum extraction conditions of volatile oil from Chinese chives were as follows: solid-liquid ratio 1:0.5, enzyme inactivation time 30 min, ultrasonic time 40 min, distillation time 6 h. Under this condition, the extraction rate of volatile oil was 0.0388%. The gas chromatog.-mass spectrometry result showed that 31 and 30 chem. constituents were identified by enzymic hydrolysis and non-enzymic hydrolysis of volatile oil of Chinese chives, resp. The contents of sulfur compounds account for 88.18% and 87.52% of the total amount resp. The contents of 2,3-dithiabutane and 1,3-dimethyltrisulfane accounted for 60.71% and 59.65% of the total content. Conclusion: The method was simple to operate, the content of sulfur compounds in the volatile oil was high, and the enzymic hydrolysis of alliin was beneficial to increase the sulfur content in the volatile oil of Chinese chives. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Safety of 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is a fused ring compound of thiophene ring and benzene ring, which is an important class of heterocycles with advantageous structures. It has been used as a raw material for the synthesis of biologically active structures and is found in pharmaceuticals such as leukotriene synthesis inhibitors and antifungals, as well as in many natural products.Safety of 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Detailed characterization of sulfur compounds in fast pyrolysis bio-oils using GC × GC-SCD and GC-MS was written by Auersvald, Milos;Kejla, Lukas;Eschenbacher, Andreas;Thi, Hang Dao;Van Geem, Kevin M.;Simacek, Pavel. And the article was included in Journal of Analytical and Applied Pyrolysis in 2021.COA of Formula: C6H8S The following contents are mentioned in the article:

Only trace amounts of sulfur (tens to thousands of ppm) are present in bio-oils produced from fast pyrolysis of lignocellulosic biomass. However, even such small amounts of sulfur-containing compounds can act as catalytic poisons during bio-oil upgrading. To improve the knowledge of sulfur speciation in bio-oils for process design and development, e.g. by hydrotreatment, comprehensive two-dimensional gas chromatog. (GC ×GC) coupled with selective sulfur chemiluminescence detector (SCD) and headspace gas chromatog. coupled to a quadrupole mass spectrometry (GC-MS) were combined. This allowed to quantify sulfur-containing compounds present in crude bio-oils produced from different types of biomass (beech wood, miscanthus, and straw) and straw bio-oil after hydrotreatment. Hydrogen sulfide, methanethiol, di-Me disulfide, and several thiophenes were identified and quantified as the most abundant sulfur compounds The detailed anal. of the hydrotreated bio-oil prepared at 360°C and 8 MPa showed that most GC-detectable sulfur was related to hydrogen sulfide not sufficiently removed in the product separator. Used anal. methods brought an unprecedented level of details about bio-oil sulfur speciation and acquired data can help to drive further R&D in bio-oil upgrading. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8COA of Formula: C6H8S).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene finds use in research as a starting material for the synthesis of larger, usually bioactive structures. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.COA of Formula: C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Determination of exogenous-prohibited flavour compounds added in coffee using gas chromatography triple quadrupole tandem mass spectrometry and gas chromatography/combustion/isotope ratio mass spectrometry was written by Wang, Yujiao;Liu, Tong;Chen, Fengming;Wang, Xiujuan;Zhang, Feng. And the article was included in Food Additives & Contaminants, Part A in 2020.Name: 2,5-Dimethylthiophene The following contents are mentioned in the article:

An anal. method based on gas chromatog. coupled to triple quadrupole tandem mass spectrometry (GC-MS/MS) was developed for the simultaneous determination of exogenous prohibited flavor compounds in coffee samples. In addition, gas chromatog./combustion/isotope ratio mass spectrometry (GC/C/IRMS) was developed to determine the origin of the founded prohibited flavor compound, N-methylpyrrole-2-carboxaldehyde (NMPCA). The good selectivity and sensitivity achieved in multiple reactions monitoring (MRM) mode allowed satisfactory confirmation and quantitation for the flavor compounds The limits of detection (LODs) and limits of quantitation (LOQs) of these compounds were in the range of 0.0005-5.0μg/kg and 0.002-16.0μg/kg, resp. The coffee samples were extracted with simultaneous distillation extraction (SDE) and NMPCA was analyzed on a GC/C/IRMS system. The δ¹³C values of endogenous NMPCA in coffee beans were within a range of -35.0% to -31.1%, whereas exogenous NMPCA was the range from -27.9% to -23.9%. The validation results revealed that the GC-MS/MS method was sensitive and reliable, and the origin of NMPCA can be distinguished by GC/C/IRMS. Finally, this method was successfully applied to coffee samples anal. and NMPCA was found in coffee samples. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Name: 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene scaffolds are of great importance due to its increased presence in bioactive molecules. It is found within the chemical structures of pharmaceutical drugs such as zileuton, raloxifene, and sertaconazole, and also BTCP.Name: 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Analysis of organic sulphur compounds in coal tar by using comprehensive two-dimensional gas chromatography-high resolution time-of-flight mass spectrometry was written by Aloisi, Ivan;Zoccali, Mariosimone;Tranchida, Peter Q.;Mondello, Luigi. And the article was included in Separations in 2020.Computed Properties of C6H8S The following contents are mentioned in the article:

Coal tar is a complex mixture of organic compounds obtained from the thermal treatment of coal; it contains several different chem. classes of compounds, such as polycyclic aromatic hydrocarbons, phenols and different heterocyclic compounds including sulfur derivatives In the present research, a target anal. was carried out for the characterization of fourteen different classes of organic sulfur compounds in coal tar by using cryogenically-modulated (CM) comprehensive two-dimensional gas chromatog.-high resolution time-of-flight mass spectrometry (GCxGC-HR ToFMS) with the support of target analyte finding, a specific software function. Furthermore, absolute quantification data were obtained by using eight pure standard sulfur compounds, and 1-fluoronaphthalene as internal standard Several figures-of-merit of the proposed method were measured (linearity, intra-day precision, limits of detection and quantification). Finally, the overall anal. performance of CM GCxGC-HR ToFMS was evaluated, in relation to MS similarities, mass accuracies, second-dimension peak widths, peak capacity and tailing factors. The approach proved itself as being a powerful anal. platform, benefiting from the high sensitivity, selectivity and resolving power, of both the GC and MS sides. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Computed Properties of C6H8S).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophenes are valuable heterocycles that are widely used in medicines, agrochemicals, and materials science. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.Computed Properties of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem