2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4,6-dimethylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4,6-dimethylpyridine-3-carbonitrile
2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4,6-dimethylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-1646 |
| Compound Name: | 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4,6-dimethylpyridine-3-carbonitrile |
| Molecular Weight: | 262.37 |
| Molecular Formula: | C14 H18 N2 O S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2874 |
| logD: | 3.2874 |
| logSw: | -3.4332 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.095 |
| InChI Key: | PZHGPUCWQNDUHH-UHFFFAOYSA-N |