HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(4-Bromophenyl)-1-(4-morpholinyl)-1-propanethione
Identifiers & Physical Properties
| CAS No. | 63612-52-2 |
|---|---|
| Molecular formula | C13H16BrNOS |
| Average molar mass | 314.24 g/mol |
| Monoisotopic mass | 313.0136 g/mol |
| SMILES | S=C(CCc1ccc(Br)cc1)N1CCOCC1 |
| InChIKey | JJFIZZMPXLVBAB-UHFFFAOYSA-N |
| PubChem CID | 12376772 |
| DTXSID | DTXSID301224622 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 44.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 248 |