O,S-Diethyl P-ethylphosphonothioate
TL;DR: O,S-Diethyl P-ethylphosphonothioate (CAS 108711-97-3) is a chemical compound with molecular formula C6H15O2PS and molecular weight 182.05304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[ethyl(ethylsulfanyl)phosphoryl]oxyethane
Also Known As: Ethyl ethylphosphonothioate, O,S-Diethyl ethylphosphonothioate, 2-Heptanone,4-methoxy, O,S-Diethyl ethylthiophosphinate, O,S-Diethyl P-ethylphosphonothioate
Technical Specifications
| Molecular Formula | C6H15O2PS |
| Molecular Weight | 182.05304 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.05304 Da |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
| SMILES | CCOP(=O)(CC)SCC |
| InChIKey | ROHZJRLOFLALPG-UHFFFAOYSA-N |
Chemical Property Profile of O,S-Diethyl P-ethylphosphonothioate
Property Insights of O,S-Diethyl P-ethylphosphonothioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,S-Diethyl P-ethylphosphonothioate. With a topological polar surface area (TPSA) of 51.6 Ų, O,S-Diethyl P-ethylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,S-Diethyl P-ethylphosphonothioate has 0 hydrogen bond donor(s) and 3 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,S-Diethyl P-ethylphosphonothioate?
The CAS number of O,S-Diethyl P-ethylphosphonothioate is 108711-97-3.
What is the molecular formula of O,S-Diethyl P-ethylphosphonothioate?
The molecular formula of O,S-Diethyl P-ethylphosphonothioate is C6H15O2PS.
What is the molecular weight of O,S-Diethyl P-ethylphosphonothioate?
The molecular weight of O,S-Diethyl P-ethylphosphonothioate is 182.05304 g/mol.
Where can I buy O,S-Diethyl P-ethylphosphonothioate?
You can request a quote for O,S-Diethyl P-ethylphosphonothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O,S-Diethyl P-ethylphosphonothioate?
Yes, CoreyChem provides custom synthesis services for O,S-Diethyl P-ethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.