3-[(1,3-benzothiazol-2-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
3-[(1,3-benzothiazol-2-yl)sulfanyl]propanoic acid
3-[(1,3-benzothiazol-2-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | 1332-0038 |
| Compound Name: | 3-[(1,3-benzothiazol-2-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 239.31 |
| Molecular Formula: | C10 H9 N O2 S2 |
| Smiles: | C(CSc1nc2ccccc2s1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5736 |
| logD: | -0.1221 |
| logSw: | -2.6966 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.704 |
| InChI Key: | DXSBAOMLHPFLMW-UHFFFAOYSA-N |