3-(2-methyl-4,5-diphenyl-1,3-thiazol-3-ium-3-yl)propane-1-sulfonate
Chemical Structure Depiction of
3-(2-methyl-4,5-diphenyl-1,3-thiazol-3-ium-3-yl)propane-1-sulfonate
3-(2-methyl-4,5-diphenyl-1,3-thiazol-3-ium-3-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 0081-0055 |
| Compound Name: | 3-(2-methyl-4,5-diphenyl-1,3-thiazol-3-ium-3-yl)propane-1-sulfonate |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C19 H19 N O3 S2 |
| Smiles: | Cc1[n+](CCCS([O-])(=O)=O)c(c2ccccc2)c(c2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.7213 |
| logD: | 2.7213 |
| logSw: | -2.9307 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.791 |
| InChI Key: | DNTIJDZVBWOXTB-UHFFFAOYSA-N |