Ethylphosphonothioic acid O,S-dimethyl ester
TL;DR: Ethylphosphonothioic acid O,S-dimethyl ester (CAS 108813-13-4) is a chemical compound with molecular formula C4H11O2PS and molecular weight 154.02174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[methoxy(methylsulfanyl)phosphoryl]ethane
Also Known As: Isononyl mercaptoacetate, O,S-Dimethyl ethanethiophosphonate, o,S-Dimethyl ethylphosphonothioate, Ethylphosphonothioic acid O,S-dimethyl ester, Phosphonothioic acid, ethyl-, O,S-dimethyl ester
Technical Specifications
| Molecular Formula | C4H11O2PS |
| Molecular Weight | 154.02174 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.02174 Da |
| Heavy Atoms | 8 |
| Complexity | 104.0 |
| SMILES | CCP(=O)(OC)SC |
| InChIKey | ZEOAMTWWLDATMW-UHFFFAOYSA-N |
Chemical Property Profile of Ethylphosphonothioic acid O,S-dimethyl ester
Property Insights of Ethylphosphonothioic acid O,S-dimethyl ester
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylphosphonothioic acid O,S-dimethyl ester. With a topological polar surface area (TPSA) of 51.6 Ų, Ethylphosphonothioic acid O,S-dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylphosphonothioic acid O,S-dimethyl ester 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 Ethylphosphonothioic acid O,S-dimethyl ester?
The CAS number of Ethylphosphonothioic acid O,S-dimethyl ester is 108813-13-4.
What is the molecular formula of Ethylphosphonothioic acid O,S-dimethyl ester?
The molecular formula of Ethylphosphonothioic acid O,S-dimethyl ester is C4H11O2PS.
What is the molecular weight of Ethylphosphonothioic acid O,S-dimethyl ester?
The molecular weight of Ethylphosphonothioic acid O,S-dimethyl ester is 154.02174 g/mol.
Where can I buy Ethylphosphonothioic acid O,S-dimethyl ester?
You can request a quote for Ethylphosphonothioic acid O,S-dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethylphosphonothioic acid O,S-dimethyl ester?
Yes, CoreyChem provides custom synthesis services for Ethylphosphonothioic acid O,S-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.