3,5-dimethyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3,5-dimethyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1)
3,5-dimethyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7771-0753 |
| Compound Name: | 3,5-dimethyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 446.35 |
| Molecular Formula: | C20 H19 N2 S |
| Salt: | I- |
| Smiles: | Cc1ccc2c(c1)[n+](C)c(\C=C1/C=Cc3ccccc3N1C)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.2714 |
| logD: | 5.2714 |
| logSw: | -5.3277 |
| Polar surface area: | 2.9009 |
| InChI Key: | RYNHJMJINFHSRY-UHFFFAOYSA-N |