HuagongsheHuagongshe Chemistry Print Report · For research reference only
methyl N-phenylbenzenecarboximidothioate
Identifiers & Physical Properties
| CAS No. | 52019-85-9 |
|---|---|
| Molecular formula | C14H13NS |
| Average molar mass | 227.33 g/mol |
| Monoisotopic mass | 227.07687059 g/mol |
| SMILES | CSC(=Nc1ccccc1)c1ccccc1 |
| InChIKey | OCGKZISWUGOYFH-UHFFFAOYSA-N |
| PubChem CID | 817841 |
| DTXSID | DTXSID00355865 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 37.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 225 |