2-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethyl-6,7-dimethylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethyl-6,7-dimethylquinolin-1-ium--iodide (1/1)
2-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethyl-6,7-dimethylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7165-0570 |
| Compound Name: | 2-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethyl-6,7-dimethylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 488.43 |
| Molecular Formula: | C23 H25 N2 S |
| Salt: | I- |
| Smiles: | CC[n+]1c(/C=C2/N(C)c3ccc(C)cc3S2)ccc2cc(C)c(C)cc12 |
| Stereo: | ACHIRAL |
| logP: | 6.8978 |
| logD: | 6.8978 |
| logSw: | -6.0614 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 1.3298 |
| InChI Key: | MCXJBHIBLVUGIK-UHFFFAOYSA-N |