HO6
Summary
| Name: | 5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid |
| Synonyms: | 4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1, 2, 3-thiadiazole |
| Formula: | C10 H8 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 252.313 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.2 | 5-(4-methylphenyl)sulfanyl-1,2,3-thiadiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2nnsc2Sc1ccc(cc1)C |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2O2S2/c1-6-2-4-7(5-3-6)15-10-8(9(13)14)11-12-16-10/h2-5H,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | PNOGJHWZHLJICV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(Sc2snnc2C(O)=O)cc1 |
| SMILES | CACTVS | 3.370 | Cc1ccc(Sc2snnc2C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1)Sc2c(nns2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1)Sc2c(nns2)C(=O)O |
