2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1,6,7-trimethylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1,6,7-trimethylquinolin-1-ium--iodide (1/1)
2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1,6,7-trimethylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7165-0373A |
| Compound Name: | 2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1,6,7-trimethylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 488.43 |
| Molecular Formula: | C23 H25 N2 S |
| Salt: | I- |
| Smiles: | CCN1/C(=C/c2ccc3cc(C)c(C)cc3[n+]2C)Sc2ccc(C)cc12 |
| Stereo: | ACHIRAL |
| logP: | 6.7711 |
| logD: | 6.7711 |
| logSw: | -6.0179 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 2.3742 |
| InChI Key: | WXBMFLGHNSQIDW-UHFFFAOYSA-N |