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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate - ≥95% , CAS No.188614-01-9
Synonyms
AC-7549 | methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylate | MFCD00449104 | methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate | FT-0650460 | AKOS001044267 | MLS001005223 | DTXSID00351403 | EU-0014280 | CCG-114119 | AM20060984 | methyl-3-oxo-3
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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 Synonyms
AC-7549 | methyl 3-oxo-3, 4-dihydro-2H-benzo[b][1, 4]thiazine-6-carboxylate | MFCD00449104 | methyl 3-oxo-4H-1, 4-benzothiazine-6-carboxylate | FT-0650460 | AKOS001044267 | MLS001005223 | DTXSID00351403 | EU-0014280 | CCG-114119 | AM20060984 | methyl-3-oxo-3
Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles COC(=O)C1=CC2=C(C=C1)SCC(=O)N2 IUPAC Name methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate InChIKey UFSVRHNRNVVBJR-UHFFFAOYSA-N INCHI 1S/C10H9NO3S/c1-14-10(13)6-2-3-8-7(4-6)11-9(12)5-15-8/h2-4H,5H2,1H3,(H,11,12) Isomeric SMILES COC(=O)C1=CC2=C(C=C1)SCC(=O)N2 Molecular Weight 223.25 Reaxy-Rn 14311523 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14311523&ln=
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 Benzothiazines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzothiazines Alternative Parents Alkylarylthioethers Benzenoids 1,4-thiazines Methyl esters Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzothiazine - Aryl thioether - Alkylarylthioether - Para-thiazine - Benzenoid - Methyl ester - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). 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 223.250 g/mol XLogP3 1.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 223.03 Da Monoisotopic Mass 223.03 Da Topological Polar Surface Area 80.700 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 282.000 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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