B6S
Summary
| Name: | 1,3-benzothiazole-6-sulfonic acid |
| Formula: | C7 H5 N O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 215.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-benzothiazole-6-sulfonic acid |
| OpenEye OEToolkits | 1.7.2 | 1,3-benzothiazole-6-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)c1ccc2ncsc2c1 |
| InChI | InChI | 1.03 | InChI=1S/C7H5NO3S2/c9-13(10,11)5-1-2-6-7(3-5)12-4-8-6/h1-4H,(H,9,10,11) |
| InChIKey | InChI | 1.03 | UGDMYHVETQRVGB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[S](=O)(=O)c1ccc2ncsc2c1 |
| SMILES | CACTVS | 3.370 | O[S](=O)(=O)c1ccc2ncsc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc2c(cc1S(=O)(=O)O)scn2 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc2c(cc1S(=O)(=O)O)scn2 |
