sodium--3-[(1,3-benzoxazol-2-yl)sulfanyl]propane-1-sulfonate (1/1)
Chemical Structure Depiction of
sodium--3-[(1,3-benzoxazol-2-yl)sulfanyl]propane-1-sulfonate (1/1)
sodium--3-[(1,3-benzoxazol-2-yl)sulfanyl]propane-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 8009-2158 |
| Compound Name: | sodium--3-[(1,3-benzoxazol-2-yl)sulfanyl]propane-1-sulfonate (1/1) |
| Molecular Weight: | 295.31 |
| Molecular Formula: | C10 H10 N O4 S2 |
| Salt: | Na+ |
| Smiles: | C(CSc1nc2ccccc2o1)CS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8408 |
| logD: | 0.8408 |
| logSw: | -1.7588 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.961 |
| InChI Key: | CWPPRZUNMZLOSE-UHFFFAOYSA-M |