O-Ethyl S-methyl ethylphosphonothioate
TL;DR: O-Ethyl S-methyl ethylphosphonothioate (CAS 2511-12-8) is a chemical compound with molecular formula C5H13O2PS and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethyl(methylsulfanyl)phosphoryl]oxyethane
Also Known As: Ethylphosphonothioic acid O-ethyl S-methyl ester, o-Ethyl S-methyl ethylphosphonothioate, ethyl ethyl(methylsulfanyl)phosphinate, o-Ethyl S-methyl ethylphosphonothioate #, 1-[ethyl(methylsulfanyl)phosphoryl]oxyethane
| Molecular Formula | C5H13O2PS |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.03738 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 2511-12-8 |
|---|---|
| SMILES | CCOP(=O)(CC)SC |
| InChIKey | VGMFDXWIGFLSBM-UHFFFAOYSA-N |
Product Overview
O-Ethyl S-methyl ethylphosphonothioate (CAS 2511-12-8), with molecular formula C5H13O2PS and molecular weight 168.04 g/mol. IUPAC: 1-[ethyl(methylsulfanyl)phosphoryl]oxyethane.
Chemical Property Profile of O-Ethyl S-methyl ethylphosphonothioate
Property Insights of O-Ethyl S-methyl ethylphosphonothioate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethyl S-methyl ethylphosphonothioate. With a topological polar surface area (TPSA) of 51.6 Ų, O-Ethyl S-methyl ethylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Ethyl S-methyl 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
Frequently Asked Questions
What is the CAS number of O-Ethyl S-methyl ethylphosphonothioate?
The CAS number of O-Ethyl S-methyl ethylphosphonothioate is 2511-12-8.
What is the molecular formula of O-Ethyl S-methyl ethylphosphonothioate?
The molecular formula of O-Ethyl S-methyl ethylphosphonothioate is C5H13O2PS.
What is the molecular weight of O-Ethyl S-methyl ethylphosphonothioate?
The molecular weight of O-Ethyl S-methyl ethylphosphonothioate is 168.04 g/mol.
Where can I buy O-Ethyl S-methyl ethylphosphonothioate?
You can request a quote for O-Ethyl S-methyl 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 S-methyl ethylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl S-methyl ethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.