1-ethyl-4-methyl-6-(trifluoromethanesulfinyl)quinolin-1-ium--4-methylbenzene-1-sulfonate (1/1)
Chemical Structure Depiction of
1-ethyl-4-methyl-6-(trifluoromethanesulfinyl)quinolin-1-ium--4-methylbenzene-1-sulfonate (1/1)
1-ethyl-4-methyl-6-(trifluoromethanesulfinyl)quinolin-1-ium--4-methylbenzene-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 0691-0007 |
| Compound Name: | 1-ethyl-4-methyl-6-(trifluoromethanesulfinyl)quinolin-1-ium--4-methylbenzene-1-sulfonate (1/1) |
| Molecular Weight: | 459.51 |
| Molecular Formula: | C13 H13 F3 N O S |
| Salt: | p-CH3C6H4SO3- |
| Smiles: | CC[n+]1ccc(C)c2cc(ccc12)S(C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8392 |
| logD: | 3.8392 |
| logSw: | -3.9332 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 16.8355 |
| InChI Key: | SICAOEAQGSVEDG-LJQANCHMSA-N |