HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Methyl-4-(phenylsulfanyl)aniline
Identifiers & Physical Properties
| CAS No. | 66168-30-7 |
|---|---|
| Molecular formula | C13H13NS |
| Average molar mass | 215.32 g/mol |
| Monoisotopic mass | 215.07687059 g/mol |
| SMILES | CNc1ccc(Sc2ccccc2)cc1 |
| InChIKey | RPPNNTBEYGLDRA-UHFFFAOYSA-N |
| PubChem CID | 12379734 |
| ChEMBL | CHEMBL170443 |
| DTXSID | DTXSID90495385 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 169 |