HuagongsheHuagongshe Chemistry Print Report · For research reference only
Phosphinothioic acid, di-4-morpholinyl-, S-methyl ester
4-[methylsulfanyl(morpholin-4-yl)phosphoryl]morpholine · Phosphinothioic acid, di-4-morpholinyl-, S-methyl ester (9CI)
Identifiers & Physical Properties
| CAS No. | 141930-98-5 |
|---|---|
| Molecular formula | C9H19N2O3PS |
| Average molar mass | 266.3 g/mol |
| Monoisotopic mass | 266.08540064 g/mol |
| SMILES | CSP(=O)(N1CCOCC1)N1CCOCC1 |
| InChIKey | BTPFGEHKZHSGGU-UHFFFAOYSA-N |
| PubChem CID | 178607 |
| DTXSID | DTXSID20931261 |
Chemical & Physical Properties
| XLogP | -0.5 |
|---|---|
| Topological polar surface area | 67.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 3 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 245 |
| Boiling point | 397.7±52.0 °C(Predicted) |
| Density | 1.29±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | -0.62±0.20(Predicted) |