3-[(1,3-benzothiazol-2-yl)sulfanyl]propane-1-sulfonic acid
Chemical Structure Depiction of
3-[(1,3-benzothiazol-2-yl)sulfanyl]propane-1-sulfonic acid
3-[(1,3-benzothiazol-2-yl)sulfanyl]propane-1-sulfonic acid
Compound characteristics
| Compound ID: | 2422-1237 |
| Compound Name: | 3-[(1,3-benzothiazol-2-yl)sulfanyl]propane-1-sulfonic acid |
| Molecular Weight: | 289.39 |
| Molecular Formula: | C10 H11 N O3 S3 |
| Smiles: | C(CSc1nc2ccccc2s1)CS(O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3615 |
| logD: | -8.0648 |
| logSw: | -1.9503 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.379 |
| InChI Key: | XBNHRNFODJOFRU-UHFFFAOYSA-N |