HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,3-Bis(phenylsulfanyl)-2-pyrrolidinone
2-Pyrrolidinone, 3,3-bis(phenylthio)- · 3,3-bis(phenylsulfanyl)-2-pyrrolidinone
Identifiers & Physical Properties
| CAS No. | 65102-73-0 |
|---|---|
| Molecular formula | C16H15NOS2 |
| Average molar mass | 301.4 g/mol |
| SMILES | O=C1NCCC1(Sc1ccccc1)Sc1ccccc1 |
| InChIKey | NSINOBZBDRFJAN-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 79.7 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 315 |
| Melting point | 100.5-102.0 °C |
| Boiling point | 537.8±50.0 °C(Predicted) |
| Density | 1.30±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 14.09±0.40(Predicted) |