HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Chloro-4-{[(1S)-1-phenylethyl]sulfanyl}benzene
![1-Chloro-4-{[(1S)-1-phenylethyl]sulfanyl}benzene molecular structure](/img/chemical/71420249.png)
Identifiers & Physical Properties
| CAS No. | 820961-87-3 |
|---|---|
| Molecular formula | C14H13ClS |
| Average molar mass | 248.8 g/mol |
| Monoisotopic mass | 248.0426493 g/mol |
| SMILES | C[C@H](Sc1ccc(Cl)cc1)c1ccccc1 |
| InChIKey | OGXVJNQDFSWBJS-NSHDSACASA-N |
| PubChem CID | 71420249 |
| DTXSID | DTXSID80839456 |
Chemical & Physical Properties
| XLogP | 5 |
|---|---|
| Topological polar surface area | 25.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 3 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 193 |