2-(1,3-benzothiazol-2-yl)-1-methylpyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-1-methylpyridin-1-ium--iodide (1/1)
2-(1,3-benzothiazol-2-yl)-1-methylpyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 0141-0252 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-1-methylpyridin-1-ium--iodide (1/1) |
| Molecular Weight: | 354.21 |
| Molecular Formula: | C13 H11 N2 S |
| Salt: | I- |
| Smiles: | C[n+]1ccccc1c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1885 |
| logD: | 3.1885 |
| logSw: | -3.138 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 11.0858 |
| InChI Key: | UJAGAFQXXDTEBG-UHFFFAOYSA-N |