1WD
Summary
| Name: | 3-sulfanylpyridine-2-carboxylic acid |
| Formula: | C6 H5 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 155.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-sulfanylpyridine-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 3-sulfanylpyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ncccc1S |
| InChI | InChI | 1.03 | InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9) |
| InChIKey | InChI | 1.03 | ZYFDNIOIEFZULT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ncccc1S |
| SMILES | CACTVS | 3.385 | OC(=O)c1ncccc1S |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(nc1)C(=O)O)S |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(nc1)C(=O)O)S |
