3-{[3-(2-hydroxyethyl)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-methylpyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
3-{[3-(2-hydroxyethyl)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-methylpyridin-1-ium--iodide (1/1)
3-{[3-(2-hydroxyethyl)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-methylpyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6253-0696 |
| Compound Name: | 3-{[3-(2-hydroxyethyl)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-methylpyridin-1-ium--iodide (1/1) |
| Molecular Weight: | 426.32 |
| Molecular Formula: | C17 H19 N2 O S |
| Salt: | I- |
| Smiles: | Cc1ccc2c(c1)SC(=C\c1ccc[n+](C)c1)\N2CCO |
| Stereo: | ACHIRAL |
| logP: | 3.0571 |
| logD: | 3.0571 |
| logSw: | -2.8264 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.5441 |
| InChI Key: | LSMPCBOSXUQUIN-GZTJUZNOSA-N |