1-ethyl-2-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-ethyl-2-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methylquinolin-1-ium--iodide (1/1)
1-ethyl-2-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7165-0053 |
| Compound Name: | 1-ethyl-2-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 488.43 |
| Molecular Formula: | C23 H25 N2 S |
| Salt: | I- |
| Smiles: | CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CC)Sc2cc(C)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.8532 |
| logD: | 6.8532 |
| logSw: | -6.0465 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 1.2889 |
| InChI Key: | LJGRAGCXEACNSB-UHFFFAOYSA-N |