2-{[5,6-dimethyl-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-ethyl-7-methylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-{[5,6-dimethyl-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-ethyl-7-methylquinolin-1-ium--iodide (1/1)
2-{[5,6-dimethyl-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-ethyl-7-methylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7771-0650 |
| Compound Name: | 2-{[5,6-dimethyl-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-ethyl-7-methylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 514.47 |
| Molecular Formula: | C25 H27 N2 S |
| Salt: | I- |
| Smiles: | CC[n+]1c(/C=C2/N(CC=C)c3cc(C)c(C)cc3S2)ccc2ccc(C)cc12 |
| Stereo: | ACHIRAL |
| logP: | 7.4279 |
| logD: | 7.4279 |
| logSw: | -6.032 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 1.5425 |
| InChI Key: | HCISSARLEQUZIG-UHFFFAOYSA-N |