TL;DR: 3-Dimethylphosphinothioyl-2(3H)-oxazolone (CAS 152645-23-3) is a chemical compound with molecular formula C5H8NO2PS and molecular weight 177.00134 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-dimethylphosphinothioyl-1,3-oxazol-2-one
Also Known As: DMPTO, 3-Dimethylphosphinothioyl-2(3H)-oxazolone, 3-dimethylphosphinothioyl-1,3-oxazol-2-one, 2(3h)-oxazolone, 3-(dimethylphosphinothioyl)-, 2(3H)-Oxazolone,3-(dimethylphosphinothioyl)-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H8NO2PS |
| Molecular Weight | 177.00134 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.00134 Da |
| Heavy Atoms | 10 |
| Complexity | 232.0 |
| SMILES | CP(=S)(C)N1C=COC1=O |
| InChIKey | HXJZCOTUNHUQCM-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Dimethylphosphinothioyl-2(3H)-oxazolone. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Dimethylphosphinothioyl-2(3H)-oxazolone. Following Lipinski's Rule of Five, 3-Dimethylphosphinothioyl-2(3H)-oxazolone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Dimethylphosphinothioyl-2(3H)-oxazolone is 152645-23-3.
The molecular formula of 3-Dimethylphosphinothioyl-2(3H)-oxazolone is C5H8NO2PS.
The molecular weight of 3-Dimethylphosphinothioyl-2(3H)-oxazolone is 177.00134 g/mol.
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