2-{2-[4-(dimethylamino)phenyl]ethenyl}-3-ethyl-6-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-{2-[4-(dimethylamino)phenyl]ethenyl}-3-ethyl-6-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
2-{2-[4-(dimethylamino)phenyl]ethenyl}-3-ethyl-6-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 2324-0057 |
| Compound Name: | 2-{2-[4-(dimethylamino)phenyl]ethenyl}-3-ethyl-6-methyl-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 450.38 |
| Molecular Formula: | C20 H23 N2 S |
| Salt: | I- |
| Smiles: | CC[n+]1c2ccc(C)cc2sc1/C=C/c1ccc(cc1)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.6568 |
| logD: | 5.6567 |
| logSw: | -5.5115 |
| Polar surface area: | 3.5379 |
| InChI Key: | UUTSUSLCQNTELT-UHFFFAOYSA-N |