1-methyl-2-(methylsulfanyl)quinolin-1-ium--4-methylbenzene-1-sulfonate (1/1)
Chemical Structure Depiction of
1-methyl-2-(methylsulfanyl)quinolin-1-ium--4-methylbenzene-1-sulfonate (1/1)
1-methyl-2-(methylsulfanyl)quinolin-1-ium--4-methylbenzene-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 0118-0133 |
| Compound Name: | 1-methyl-2-(methylsulfanyl)quinolin-1-ium--4-methylbenzene-1-sulfonate (1/1) |
| Molecular Weight: | 361.48 |
| Molecular Formula: | C11 H12 N S |
| Salt: | p-CH3C6H4SO3- |
| Smiles: | C[n+]1c(ccc2ccccc12)SC |
| Stereo: | ACHIRAL |
| logP: | 3.1447 |
| logD: | 3.1447 |
| logSw: | -3.3122 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 1.9765 |
| InChI Key: | WSGTYHLPPULYTK-UHFFFAOYSA-N |