5-chloro-3-methyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
5-chloro-3-methyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1)
5-chloro-3-methyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7771-0751 |
| Compound Name: | 5-chloro-3-methyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 466.77 |
| Molecular Formula: | C19 H16 Cl N2 S |
| Salt: | I- |
| Smiles: | CN1C(\C=Cc2ccccc12)=C\c1[n+](C)c2cc(ccc2s1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4915 |
| logD: | 5.4915 |
| logSw: | -5.944 |
| Polar surface area: | 2.9009 |
| InChI Key: | KMFNZUGALHJLLG-UHFFFAOYSA-N |