3-butyl-2-{2-[4-(dimethylamino)phenyl]ethenyl}-5-methoxy-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-butyl-2-{2-[4-(dimethylamino)phenyl]ethenyl}-5-methoxy-1,3-benzothiazol-3-ium--iodide (1/1)
3-butyl-2-{2-[4-(dimethylamino)phenyl]ethenyl}-5-methoxy-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5018-0041 |
| Compound Name: | 3-butyl-2-{2-[4-(dimethylamino)phenyl]ethenyl}-5-methoxy-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 494.44 |
| Molecular Formula: | C22 H27 N2 O S |
| Salt: | I- |
| Smiles: | CCCC[n+]1c2cc(ccc2sc1/C=C/c1ccc(cc1)N(C)C)OC |
| Stereo: | ACHIRAL |
| logP: | 6.1276 |
| logD: | 6.1276 |
| logSw: | -5.4932 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 11.3353 |
| InChI Key: | RKIJKEYIBVTCIZ-UHFFFAOYSA-N |