4-(2-methylnaphtho[1,2-d][1,3]thiazol-1-ium-1-yl)butane-2-sulfonate
Chemical Structure Depiction of
4-(2-methylnaphtho[1,2-d][1,3]thiazol-1-ium-1-yl)butane-2-sulfonate
4-(2-methylnaphtho[1,2-d][1,3]thiazol-1-ium-1-yl)butane-2-sulfonate
Compound characteristics
| Compound ID: | 4400-0085 |
| Compound Name: | 4-(2-methylnaphtho[1,2-d][1,3]thiazol-1-ium-1-yl)butane-2-sulfonate |
| Molecular Weight: | 335.44 |
| Molecular Formula: | C16 H17 N O3 S2 |
| Smiles: | CC(CC[n+]1c2c3ccccc3ccc2sc1C)S([O-])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5445 |
| logD: | 2.5445 |
| logSw: | -2.8988 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.666 |
| InChI Key: | IPNCWEVNMHNNFS-NSHDSACASA-N |