ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate
ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4088-0073 |
| Compound Name: | ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate |
| Molecular Weight: | 261.3 |
| Molecular Formula: | C12 H11 N3 O2 S |
| Smiles: | CCOC(c1cc(C#N)c(nc1C)SCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2082 |
| logD: | 2.2082 |
| logSw: | -2.4294 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.864 |
| InChI Key: | DKOHGUJUCHQWOI-UHFFFAOYSA-N |