HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-[3-(6-Bromopyridin-3-yl)propyl]thiomorpholin-3-one
![4-[3-(6-Bromopyridin-3-yl)propyl]thiomorpholin-3-one molecular structure](/img/chemical/71427770.png)
Identifiers & Physical Properties
| CAS No. | 918145-49-0 |
|---|---|
| Molecular formula | C12H15BrN2OS |
| Average molar mass | 315.23 g/mol |
| Monoisotopic mass | 314.0088462 g/mol |
| SMILES | O=C1CSCCN1CCCc1ccc(Br)nc1 |
| InChIKey | BLNDLVJKWIJCKZ-UHFFFAOYSA-N |
| PubChem CID | 71427770 |
| DTXSID | DTXSID60846507 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 58.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 265 |