3-(3-methylnaphtho[2,1-d][1,2]thiazol-2-ium-2-yl)propane-1-sulfonate
Chemical Structure Depiction of
3-(3-methylnaphtho[2,1-d][1,2]thiazol-2-ium-2-yl)propane-1-sulfonate
3-(3-methylnaphtho[2,1-d][1,2]thiazol-2-ium-2-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 7771-0787 |
| Compound Name: | 3-(3-methylnaphtho[2,1-d][1,2]thiazol-2-ium-2-yl)propane-1-sulfonate |
| Molecular Weight: | 321.41 |
| Molecular Formula: | C15 H15 N O3 S2 |
| Smiles: | Cc1c2ccc3ccccc3c2s[n+]1CCCS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0534 |
| logD: | 2.0534 |
| logSw: | -2.8302 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.85 |
| InChI Key: | ULYQRXRZCNTXTH-UHFFFAOYSA-N |