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· · COA & SDS available for every product · Same-day shipping on in-stock items 2H-1,4-Benzothiazin-3(4H)-one - ≥98%(GC) , CAS No.5325-20-2
Synonyms
GNF-Pf-3697 | F19976 | HMS1788G07 | 4H-BENZO(1,4)THIAZIN-3-ONE | 4H-Benzo[1,4]thiazin-3-one | 4B-058 | AKOS001053245 | 3-OXO-1,4-BENZOTHIAZINE | SMR001547028 | EINECS 226-197-5 | B4554 | (2h),1,4-benzothiazin-3(4h)-one | DTXSID20201355 | MFCD00006698 | (2
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Why this grade ≥98%(GC) 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
GNF-Pf-3697 | F19976 | HMS1788G07 | 4H-BENZO(1, 4)THIAZIN-3-ONE | 4H-Benzo[1, 4]thiazin-3-one | 4B-058 | AKOS001053245 | 3-OXO-1, 4-BENZOTHIAZINE | SMR001547028 | EINECS 226-197-5 | B4554 | (2h), 1, 4-benzothiazin-3(4h)-one | DTXSID20201355 | MFCD00006698 | (2
Specifications & Purity
≥98%(GC)
Names and Identifiers Pubchem Sid 488182687 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488182687 Canonical Smiles C1C(=O)NC2=CC=CC=C2S1 IUPAC Name 4H-1,4-benzothiazin-3-one InChIKey GTFMIJNXNMDHAB-UHFFFAOYSA-N INCHI 1S/C8H7NOS/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10) Isomeric SMILES C1C(=O)NC2=CC=CC=C2S1 WGK Germany 3 Molecular Weight 165.21 Reaxy-Rn 131642 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131642&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 Secondary carboxylic acid amides Lactams 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 - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Thioether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - 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 Melt Point(°C) 180 °C Molecular Weight 165.210 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 165.025 Da Monoisotopic Mass 165.025 Da Topological Polar Surface Area 54.400 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 171.000 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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