2-methyl-1-(methylsulfanyl)isoquinolin-2-ium
Chemical Structure Depiction of
2-methyl-1-(methylsulfanyl)isoquinolin-2-ium
2-methyl-1-(methylsulfanyl)isoquinolin-2-ium
Compound characteristics
| Compound ID: | 6253-0269 |
| Compound Name: | 2-methyl-1-(methylsulfanyl)isoquinolin-2-ium |
| Molecular Weight: | 317.19 |
| Molecular Formula: | C11 H12 N S |
| Salt: | I- |
| Smiles: | C[n+]1ccc2ccccc2c1SC |
| Stereo: | ACHIRAL |
| logP: | 2.9877 |
| logD: | 2.9877 |
| logSw: | -3.0758 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 2.3621 |
| InChI Key: | WFABGLFTEZNNSI-UHFFFAOYSA-N |