3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Chemical Structure Depiction of
3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 6253-0716 |
| Compound Name: | 3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate |
| Molecular Weight: | 347.45 |
| Molecular Formula: | C17 H17 N O3 S2 |
| Smiles: | Cc1[n+](CCCS([O-])(=O)=O)c2cc(ccc2s1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5687 |
| logD: | 2.5687 |
| logSw: | -2.7917 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.536 |
| InChI Key: | GHPZAMLBQJUZDB-UHFFFAOYSA-N |