3-(1,3-benzothiazol-2-yl)-1-ethylpyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-ethylpyridin-1-ium--iodide (1/1)
3-(1,3-benzothiazol-2-yl)-1-ethylpyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 0141-0267 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-ethylpyridin-1-ium--iodide (1/1) |
| Molecular Weight: | 368.24 |
| Molecular Formula: | C14 H13 N2 S |
| Salt: | I- |
| Smiles: | CC[n+]1cccc(c1)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5757 |
| logD: | 3.5757 |
| logSw: | -3.4056 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 12.3692 |
| InChI Key: | FYSNYJGPIDUYHL-UHFFFAOYSA-N |