2-(2-anilinoprop-1-en-1-yl)-3-ethyl-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-(2-anilinoprop-1-en-1-yl)-3-ethyl-1,3-benzothiazol-3-ium--iodide (1/1)
2-(2-anilinoprop-1-en-1-yl)-3-ethyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4090-1983 |
| Compound Name: | 2-(2-anilinoprop-1-en-1-yl)-3-ethyl-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 422.33 |
| Molecular Formula: | C18 H19 N2 S |
| Salt: | I- |
| Smiles: | CC[n+]1c2ccccc2sc1\C=C(/C)Nc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0219 |
| logD: | 5.0219 |
| logSw: | -4.6347 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 8.5615 |
| InChI Key: | MUSYZYNYQAOQOM-UHFFFAOYSA-O |