3-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-(2-hydroxyethyl)pyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
3-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-(2-hydroxyethyl)pyridin-1-ium--iodide (1/1)
3-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-(2-hydroxyethyl)pyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6253-0703 |
| Compound Name: | 3-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-(2-hydroxyethyl)pyridin-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+](CCO)c1)\N2C |
| Stereo: | ACHIRAL |
| logP: | 3.2287 |
| logD: | 3.2287 |
| logSw: | -2.9643 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.0082 |
| InChI Key: | YIZLTLDAYCAPEX-GZTJUZNOSA-N |