HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Fluoro-6-[(3-methoxyphenyl)thio]benzonitrile
![2-Fluoro-6-[(3-methoxyphenyl)thio]benzonitrile molecular structure](/img/chemical/10706406.png)
Identifiers & Physical Properties
| Molecular formula | C14H10FNOS |
|---|---|
| Average molar mass | 259.3 g/mol |
| SMILES | COc1cccc(Sc2cccc(F)c2C#N)c1 |
| InChIKey | DHDWUOHFLGWVNS-UHFFFAOYSA-N |
| PubChem CID | 10706406 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 58.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 316 |