O-Ethyl hydrogen P-ethylphosphonothioate
TL;DR: O-Ethyl hydrogen P-ethylphosphonothioate (CAS 4789-36-0) is a chemical compound with molecular formula C4H11O2PS and molecular weight 154.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-ethyl-hydroxy-sulfanylidene-λ5-phosphane
Also Known As: Ethyl ethylphosphonothioate, O-Ethyl ethylphosphonothioic acid, O-Ethyl ethylthiophosphonate, O-Ethyl ethylphosphonothioate, O-Ethyl ethanephosphonothioic acid
| Molecular Formula | C4H11O2PS |
|---|---|
| Molecular Weight | 154.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.02174 |
| Heavy Atoms | 8 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 4789-36-0 |
|---|---|
| SMILES | CCOP(=S)(CC)O |
| InChIKey | AIJQQTBLBLBZDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-Ethyl hydrogen P-ethylphosphonothioate (CAS 4789-36-0), with molecular formula C4H11O2PS and molecular weight 154.02 g/mol. IUPAC: ethoxy-ethyl-hydroxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Ethyl hydrogen P-ethylphosphonothioate
Property Insights of O-Ethyl hydrogen P-ethylphosphonothioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethyl hydrogen P-ethylphosphonothioate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Ethyl hydrogen P-ethylphosphonothioate. Following Lipinski's Rule of Five, O-Ethyl hydrogen P-ethylphosphonothioate has 1 hydrogen bond donor(s) and 3 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-Ethyl hydrogen P-ethylphosphonothioate?
The CAS number of O-Ethyl hydrogen P-ethylphosphonothioate is 4789-36-0.
What is the molecular formula of O-Ethyl hydrogen P-ethylphosphonothioate?
The molecular formula of O-Ethyl hydrogen P-ethylphosphonothioate is C4H11O2PS.
What is the molecular weight of O-Ethyl hydrogen P-ethylphosphonothioate?
The molecular weight of O-Ethyl hydrogen P-ethylphosphonothioate is 154.02 g/mol.
Where can I buy O-Ethyl hydrogen P-ethylphosphonothioate?
You can request a quote for O-Ethyl hydrogen P-ethylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethyl hydrogen P-ethylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl hydrogen P-ethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.