3-{2-[(1-ethylpyridin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{2-[(1-ethylpyridin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
3-{2-[(1-ethylpyridin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 3853-0073 |
| Compound Name: | 3-{2-[(1-ethylpyridin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate |
| Molecular Weight: | 376.49 |
| Molecular Formula: | C18 H20 N2 O3 S2 |
| Smiles: | CCN1C=CC(C=C1)=Cc1[n+](CCCS([O-])(=O)=O)c2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 1.5515 |
| logD: | 1.5515 |
| logSw: | -1.967 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.967 |
| InChI Key: | PVHGKXWGCJKTLG-UHFFFAOYSA-N |