3-(6-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Chemical Structure Depiction of
3-(6-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
3-(6-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 7165-0034 |
| Compound Name: | 3-(6-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate |
| Molecular Weight: | 305.8 |
| Molecular Formula: | C11 H12 Cl N O3 S2 |
| Smiles: | Cc1[n+](CCCS([O-])(=O)=O)c2ccc(cc2s1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.4474 |
| logD: | 1.4474 |
| logSw: | -2.3576 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.807 |
| InChI Key: | NBPAJMGRIAEGCT-UHFFFAOYSA-N |