2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]-2-methylpropanoic acid
Chemical Structure Depiction of
2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]-2-methylpropanoic acid
2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]-2-methylpropanoic acid
Compound characteristics
| Compound ID: | 8013-1833 |
| Compound Name: | 2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]-2-methylpropanoic acid |
| Molecular Weight: | 236.29 |
| Molecular Formula: | C11 H12 N2 O2 S |
| Smiles: | Cc1ccc(C#N)c(n1)SC(C)(C)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2632 |
| logD: | -0.7269 |
| logSw: | -2.6435 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.256 |
| InChI Key: | DKKSCXGVYADFIJ-UHFFFAOYSA-N |