≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CN1C2=CC=CC=C2C(=C(S1(=O)=O)C(=S)NC3=CC=C(C=C3)Cl)O |
|---|---|
| IUPAC Name | N-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carbothioamide |
| InChIKey | BQZLRWKSTNRVMB-UHFFFAOYSA-N |
| INCHI | 1S/C16H13ClN2O3S2/c1-19-13-5-3-2-4-12(13)14(20)15(24(19,21)22)16(23)18-11-8-6-10(17)7-9-11/h2-9,20H,1H3,(H,18,23) |
| Isómeros SMILES | CN1C2=CC=CC=C2C(=C(S1(=O)=O)C(=S)NC3=CC=C(C=C3)Cl)O |
| PubChem CID | 135501751 |
| Peso molecular | 380.87 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzothiazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazines |
| Alternative Parents | Chlorobenzenes Organosulfonamides Organic sulfonamides Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Imidothioic acids and derivatives Azacyclic compounds Alkylthiols Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzothiazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alkylthiol - Azacycle - Organic 1,3-dipolar compound - Imidothioic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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 |
| Peso molecular | 380.900 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 380.006 Da |
| Monoisotopic Mass | 380.006 Da |
| Topological Polar Surface Area | 110.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 636.000 |
| 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 |
