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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 7-Methyl-1,4-benzothiazin-3(4H)-one - ≥97% , CAS No.30322-02-2
Synonyms
7-Methyl-1,4-benzothiazine-3-one | 7-Methyl-1,4-benzothiazin-3(4H)-one | SCHEMBL279937 | 7-methyl-4H-1,4-benzothiazin-3-one | DTXSID00351049 | J-017910 | 7-Methyl-1,4-benzothiazin-3(4H)-one, 97% | 2H-1,4-Benzothiazin-3(4H)-one, 7-methyl- | AN-829/42007422
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Why this grade ≥97% 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 Sinónimos
7-Methyl-1, 4-benzothiazine-3-one | 7-Methyl-1, 4-benzothiazin-3(4H)-one | SCHEMBL279937 | 7-methyl-4H-1, 4-benzothiazin-3-one | DTXSID00351049 | J-017910 | 7-Methyl-1, 4-benzothiazin-3(4H)-one, 97% | 2H-1, 4-Benzothiazin-3(4H)-one, 7-methyl- | AN-829/42007422
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488191147 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191147 Sonrisas canónicas CC1=CC2=C(C=C1)NC(=O)CS2 IUPAC Name 7-methyl-4H-1,4-benzothiazin-3-one InChIKey ODJQMWDFNLNCTM-UHFFFAOYSA-N INCHI 1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11) Isómeros SMILES CC1=CC2=C(C=C1)NC(=O)CS2 WGK Alemania 3 Peso molecular 179.24 Reaxy-Rn 138090 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=138090&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 Clase 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 Descripción 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.
Estructura 3D Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 206 °C Peso molecular 179.240 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 179.04 Da Monoisotopic Mass 179.04 Da Topological Polar Surface Area 54.400 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 195.000 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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