A1EFE
Summary
| Name: | 2,1,3-benzothiadiazol-5-ylmethanol |
| Synonyms: | 89795-51-7 |
| Formula: | C7 H6 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 166.2 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,1,3-benzothiadiazol-5-ylmethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H6N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-3,10H,4H2 |
| InChIKey | InChI | 1.06 | XJUBKVSCNJIWMB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccc2nsnc2c1 |
| SMILES | CACTVS | 3.385 | OCc1ccc2nsnc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CO)nsn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CO)nsn2 |
