2-{[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-methylpyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-{[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-methylpyridin-1-ium--iodide (1/1)
2-{[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-methylpyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6253-0522 |
| Compound Name: | 2-{[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-methylpyridin-1-ium--iodide (1/1) |
| Molecular Weight: | 412.29 |
| Molecular Formula: | C16 H17 N2 O S |
| Salt: | I- |
| Smiles: | C[n+]1ccccc1/C=C1/N(CCO)c2ccccc2S1 |
| Stereo: | ACHIRAL |
| logP: | 2.4989 |
| logD: | 2.4989 |
| logSw: | -2.0308 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.1646 |
| InChI Key: | VHMYRIWZTCFOPT-UHFFFAOYSA-N |