O,O',O''-Triethyl phosphorothioate
TL;DR: O,O',O''-Triethyl phosphorothioate (CAS 126-68-1) is a chemical compound with molecular formula C6H15O3PS and molecular weight 198.04796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
triethoxy(sulfanylidene)-λ5-phosphane
Also Known As: Triethyl thiophosphate, O,o,o-triethylphosphorothioate, Triethylthiofosfat, Triethyl phosphorothioate, O,O,O-Triethyl phosphorothioate
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H15O3PS |
| Molecular Weight | 198.04796 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.04796 Da |
| Heavy Atoms | 11 |
| Complexity | 116.0 |
| Density | 1.074 @25 °C |
| SMILES | CCOP(=S)(OCC)OCC |
| InChIKey | QTPJMTACJMLPLL-UHFFFAOYSA-N |
Chemical Property Profile of O,O',O''-Triethyl phosphorothioate
Property Insights of O,O',O''-Triethyl phosphorothioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O',O''-Triethyl phosphorothioate. With a topological polar surface area (TPSA) of 59.8 Ų, O,O',O''-Triethyl phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O',O''-Triethyl phosphorothioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of O,O',O''-Triethyl phosphorothioate?
The CAS number of O,O',O''-Triethyl phosphorothioate is 126-68-1.
What is the molecular formula of O,O',O''-Triethyl phosphorothioate?
The molecular formula of O,O',O''-Triethyl phosphorothioate is C6H15O3PS.
What is the molecular weight of O,O',O''-Triethyl phosphorothioate?
The molecular weight of O,O',O''-Triethyl phosphorothioate is 198.04796 g/mol.
Where can I buy O,O',O''-Triethyl phosphorothioate?
You can request a quote for O,O',O''-Triethyl phosphorothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O,O',O''-Triethyl phosphorothioate?
Yes, CoreyChem provides custom synthesis services for O,O',O''-Triethyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.