HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-t-Butylthio-3-cyano-5-ethylpyridine
Identifiers & Physical Properties
| Molecular formula | C12H16N2S |
|---|---|
| Average molar mass | 220.34 g/mol |
| SMILES | CCc1cnc(SC(C)(C)C)c(C#N)c1 |
| InChIKey | BYLXDCUZWTZBPD-UHFFFAOYSA-N |
| PubChem CID | 19086252 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 62 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 248 |