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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 | CN1C2=C(C(=C(S1(=O)=O)C(=S)NC3=CC=CC=C3)O)SC=C2 |
|---|---|
| IUPAC Name | 4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carbothioamide |
| InChIKey | SAANTESRMVIJGI-UHFFFAOYSA-N |
| INCHI | 1S/C14H12N2O3S3/c1-16-10-7-8-21-12(10)11(17)13(22(16,18)19)14(20)15-9-5-3-2-4-6-9/h2-8,17H,1H3,(H,15,20) |
| Isomeric SMILES | CN1C2=C(C(=C(S1(=O)=O)C(=S)NC3=CC=CC=C3)O)SC=C2 |
| PubChem CID | 135476807 |
| Molecular Weight | 352.45 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thienothiazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienothiazines |
| Alternative Parents | Organosulfonamides Organic sulfonamides Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Imidothioic acids and derivatives Azacyclic compounds Alkylthiols Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienothiazine - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Thiophene - Alkylthiol - Imidothioic acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienothiazines. These are heterocyclic compounds containing a thiophene ring fused to a thiazine. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Thiazine is a 6-membered ring consisting of four carbon, one nitrogen and one sulfur atoms. |
| External Descriptors | Not available |
| Molecular Weight | 352.500 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 352.001 Da |
| Monoisotopic Mass | 352.001 Da |
| Topological Polar Surface Area | 138.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 591.000 |
| 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 |