2-{2-[4-(dimethylamino)phenyl]ethenyl}-3-ethyl-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-{2-[4-(dimethylamino)phenyl]ethenyl}-3-ethyl-1,3-benzothiazol-3-ium--iodide (1/1)
2-{2-[4-(dimethylamino)phenyl]ethenyl}-3-ethyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 1495-0025 |
| Compound Name: | 2-{2-[4-(dimethylamino)phenyl]ethenyl}-3-ethyl-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 436.36 |
| Molecular Formula: | C19 H21 N2 S |
| Salt: | I- |
| Smiles: | CC[n+]1c2ccccc2sc1/C=C/c1ccc(cc1)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.2681 |
| logD: | 5.2681 |
| logSw: | -5.3768 |
| Polar surface area: | 3.5379 |
| InChI Key: | YWCGKTACGSLWSG-UHFFFAOYSA-N |