3-[(1,3-benzoxazol-2-yl)sulfanyl]propane-1-sulfonic acid
Chemical Structure Depiction of
3-[(1,3-benzoxazol-2-yl)sulfanyl]propane-1-sulfonic acid
3-[(1,3-benzoxazol-2-yl)sulfanyl]propane-1-sulfonic acid
Compound characteristics
| Compound ID: | 4090-2020 |
| Compound Name: | 3-[(1,3-benzoxazol-2-yl)sulfanyl]propane-1-sulfonic acid |
| Molecular Weight: | 273.33 |
| Molecular Formula: | C10 H11 N O4 S2 |
| Smiles: | C(CSc1nc2ccccc2o1)CS(O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8408 |
| logD: | -8.5855 |
| logSw: | -1.7588 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.961 |
| InChI Key: | CWPPRZUNMZLOSE-UHFFFAOYSA-N |