≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | C1CSC2=C(N1C(=O)NC3=CC(=CC=C3)Cl)C=CC(=C2)Cl |
|---|---|
| IUPAC Name | 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide |
| InChIKey | XQAMKQUWTISIDE-UHFFFAOYSA-N |
| INCHI | 1S/C15H12Cl2N2OS/c16-10-2-1-3-12(8-10)18-15(20)19-6-7-21-14-9-11(17)4-5-13(14)19/h1-5,8-9H,6-7H2,(H,18,20) |
| Isomeric SMILES | C1CSC2=C(N1C(=O)NC3=CC(=CC=C3)Cl)C=CC(=C2)Cl |
| PubChem CID | 3585771 |
| Molecular Weight | 339.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazines |
| Alternative Parents | N-phenylureas Chlorobenzenes Alkylarylthioethers Aryl chlorides 1,4-thiazines Ureas Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzothiazine - N-phenylurea - Aryl thioether - Alkylarylthioether - Chlorobenzene - Halobenzene - Para-thiazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Urea - Azacycle - Thioether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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 |
| Molecular Weight | 339.200 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 338.005 Da |
| Monoisotopic Mass | 338.005 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 385.000 |
| 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 |
