HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-((2-(Trifluoromethoxy)phenyl)thio)benzonitrile
Identifiers & Physical Properties
| Molecular formula | C14H8F3NOS |
|---|---|
| Average molar mass | 295.28 g/mol |
| SMILES | N#Cc1ccc(Sc2ccccc2OC(F)(F)F)cc1 |
| InChIKey | IGOVKLFWEUIAOB-UHFFFAOYSA-N |
| PubChem CID | 70979110 |
Chemical & Physical Properties
| XLogP | 4.9 |
|---|---|
| Topological polar surface area | 58.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 3 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 357 |