O,O-dimethyl S-ethyl phosphorothioate
TL;DR: O,O-dimethyl S-ethyl phosphorothioate (CAS 6389-81-7) is a chemical compound with molecular formula C4H11O3PS and molecular weight 170.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dimethoxyphosphorylsulfanylethane
Also Known As: O,O-Dimethyl S-ethyl phosphorothioate, 1-dimethoxyphosphorylsulfanylethane, dimethyl (ethylsulfanyl)phosphonate, O,O-dimethylS-ethylphosphorothioate, S-Ethyl O,O-dimethyl phosphorothioate
| Molecular Formula | C4H11O3PS |
|---|---|
| Molecular Weight | 170.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.01665 |
| Heavy Atoms | 9 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 6389-81-7 |
|---|---|
| SMILES | CCSP(=O)(OC)OC |
| InChIKey | KEVXARPBRXTLQG-UHFFFAOYSA-N |
Product Overview
O,O-dimethyl S-ethyl phosphorothioate (CAS 6389-81-7), with molecular formula C4H11O3PS and molecular weight 170.02 g/mol. IUPAC: 1-dimethoxyphosphorylsulfanylethane.
Chemical Property Profile of O,O-dimethyl S-ethyl phosphorothioate
Property Insights of O,O-dimethyl S-ethyl phosphorothioate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-dimethyl S-ethyl phosphorothioate. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-dimethyl S-ethyl phosphorothioate. Following Lipinski's Rule of Five, O,O-dimethyl S-ethyl 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
Frequently Asked Questions
What is the CAS number of O,O-dimethyl S-ethyl phosphorothioate?
The CAS number of O,O-dimethyl S-ethyl phosphorothioate is 6389-81-7.
What is the molecular formula of O,O-dimethyl S-ethyl phosphorothioate?
The molecular formula of O,O-dimethyl S-ethyl phosphorothioate is C4H11O3PS.
What is the molecular weight of O,O-dimethyl S-ethyl phosphorothioate?
The molecular weight of O,O-dimethyl S-ethyl phosphorothioate is 170.02 g/mol.
Where can I buy O,O-dimethyl S-ethyl phosphorothioate?
You can request a quote for O,O-dimethyl S-ethyl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-dimethyl S-ethyl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-dimethyl S-ethyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.