2-{[3-(2-hydroxyethyl)-5-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-methylpyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-{[3-(2-hydroxyethyl)-5-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-methylpyridin-1-ium--iodide (1/1)
2-{[3-(2-hydroxyethyl)-5-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-methylpyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7165-0074 |
| Compound Name: | 2-{[3-(2-hydroxyethyl)-5-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)N(CCO)/C(=C/c1cccc[n+]1C)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.051 |
| logD: | 3.051 |
| logSw: | -3.1122 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.1646 |
| InChI Key: | FHADRUAEULHIRV-UHFFFAOYSA-N |