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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 3-(methylthio)-4-oxo-4，5，6，7-tetrahydrobenzo[c]thiophene-1-carboxylate - ≥95% , CAS No.168279-54-7 🧪
Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles CCOC(=O)C1=C2CCCC(=O)C2=C(S1)SC IUPAC Name ethyl 3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate InChIKey BHVLZDJJLSBOHJ-UHFFFAOYSA-N INCHI 1S/C12H14O3S2/c1-3-15-11(14)10-7-5-4-6-8(13)9(7)12(16-2)17-10/h3-6H2,1-2H3 Isomeric SMILES CCOC(=O)C1=C2CCCC(=O)C2=C(S1)SC PubChem CID 2778748 Molecular Weight 270.37
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Thiophenes Subclass Thiophene carboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Thiophene carboxylic acids and derivatives Alternative Parents Aryl alkyl ketones Alkylarylthioethers Vinylogous thioesters Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Aryl thioether - Thiophene carboxylic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Alkylarylthioether - Vinylogous thioester - Heteroaromatic compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof). External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 270.400 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 270.038 Da Monoisotopic Mass 270.038 Da Topological Polar Surface Area 96.900 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 319.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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