3-{2-[(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{2-[(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
3-{2-[(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 7165-0760 |
| Compound Name: | 3-{2-[(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate |
| Molecular Weight: | 468.61 |
| Molecular Formula: | C23 H20 N2 O3 S3 |
| Smiles: | CN1/C(=C/c2[n+](CCCS([O-])(=O)=O)c3ccccc3s2)Sc2ccc3ccccc3c12 |
| Stereo: | ACHIRAL |
| logP: | 4.2874 |
| logD: | 4.2874 |
| logSw: | -4.3524 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.382 |
| InChI Key: | FCJLQYXGTGUPCA-UHFFFAOYSA-N |