HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Phenyl-3-(phenylsulfanyl)propan-1-one
Identifiers & Physical Properties
| CAS No. | 22956-36-1 |
|---|---|
| Molecular formula | C15H14OS |
| Average molar mass | 242.3 g/mol |
| Monoisotopic mass | 242.07653624 g/mol |
| SMILES | O=C(CCSc1ccccc1)c1ccccc1 |
| InChIKey | QZKLFDOVQDWYLH-UHFFFAOYSA-N |
| PubChem CID | 12373749 |
| DTXSID | DTXSID50494970 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 42.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 5 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 227 |