HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Amino-6-[(3-methoxyphenyl)sulfinyl]benzonitrile
![2-Amino-6-[(3-methoxyphenyl)sulfinyl]benzonitrile molecular structure](/img/chemical/486331.png)
Identifiers & Physical Properties
| Molecular formula | C14H12N2O2S |
|---|---|
| Average molar mass | 272.32 g/mol |
| SMILES | COc1cccc(S(=O)c2cccc(N)c2C#N)c1 |
| InChIKey | DTAPEXKJTDIXLQ-UHFFFAOYSA-N |
| PubChem CID | 486331 |
| ChEMBL | CHEMBL55007 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 95.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 379 |