2-[(1-ethyl-7-methylquinolin-2(1H)-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(1-ethyl-7-methylquinolin-2(1H)-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
2-[(1-ethyl-7-methylquinolin-2(1H)-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4400-0132 |
| Compound Name: | 2-[(1-ethyl-7-methylquinolin-2(1H)-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 460.38 |
| Molecular Formula: | C21 H21 N2 S |
| Salt: | I- |
| Smiles: | CCN1C(\C=Cc2ccc(C)cc12)=C\c1[n+](C)c2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.0389 |
| logD: | 6.0389 |
| logSw: | -5.6349 |
| Polar surface area: | 2.8599 |
| InChI Key: | ZCAMSQQWPZLNBL-UHFFFAOYSA-N |