3-(2-{2-[4-(dimethylamino)phenyl]ethenyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate
Chemical Structure Depiction of
3-(2-{2-[4-(dimethylamino)phenyl]ethenyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate
3-(2-{2-[4-(dimethylamino)phenyl]ethenyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 5984-0253 |
| Compound Name: | 3-(2-{2-[4-(dimethylamino)phenyl]ethenyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate |
| Molecular Weight: | 452.59 |
| Molecular Formula: | C24 H24 N2 O3 S2 |
| Smiles: | CN(C)c1ccc(/C=C/c2[n+](CCCS([O-])(=O)=O)c3c4ccccc4ccc3s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.883 |
| logD: | 3.8829 |
| logSw: | -4.1028 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.355 |
| InChI Key: | MLUCJEACZUTJQC-UHFFFAOYSA-N |