3-ethyl-2-[(1-ethyl-7-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-ethyl-2-[(1-ethyl-7-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1)
3-ethyl-2-[(1-ethyl-7-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4400-0121 |
| Compound Name: | 3-ethyl-2-[(1-ethyl-7-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 474.41 |
| Molecular Formula: | C22 H23 N2 S |
| Salt: | I- |
| Smiles: | CCN1C(\C=Cc2ccc(C)cc12)=C\c1[n+](CC)c2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.6534 |
| logD: | 6.6534 |
| logSw: | -5.8436 |
| Polar surface area: | 1.7746 |
| InChI Key: | AOTHBGIUDBEFII-UHFFFAOYSA-N |