2-hydroxy-3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Chemical Structure Depiction of
2-hydroxy-3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
2-hydroxy-3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 2422-1253 |
| Compound Name: | 2-hydroxy-3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate |
| Molecular Weight: | 317.38 |
| Molecular Formula: | C12 H15 N O5 S2 |
| Smiles: | Cc1[n+](CC(CS([O-])(=O)=O)O)c2cc(ccc2s1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1631 |
| logD: | 0.1631 |
| logSw: | -2.1446 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.992 |
| InChI Key: | WTHXMPIUXHZQHR-VIFPVBQESA-N |