s-Butyl o-ethyl ethylphosphonothioate
TL;DR: s-Butyl o-ethyl ethylphosphonothioate (CAS 51116-01-9) is a chemical compound with molecular formula C8H19O2PS and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(ethyl)phosphoryl]sulfanylbutane
Also Known As: s-butyl o-ethyl ethylphosphonothioate, 1-[ethoxy(ethyl)phosphoryl]sulfanylbutane
| Molecular Formula | C8H19O2PS |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.08434 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 51116-01-9 |
|---|---|
| SMILES | CCCCSP(=O)(CC)OCC |
| InChIKey | OKTWDYLNJKEOAM-UHFFFAOYSA-N |
Product Overview
s-Butyl o-ethyl ethylphosphonothioate (CAS 51116-01-9), with molecular formula C8H19O2PS and molecular weight 210.08 g/mol. IUPAC: 1-[ethoxy(ethyl)phosphoryl]sulfanylbutane.
Chemical Property Profile of s-Butyl o-ethyl ethylphosphonothioate
Property Insights of s-Butyl o-ethyl ethylphosphonothioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-Butyl o-ethyl ethylphosphonothioate. With a topological polar surface area (TPSA) of 51.6 Ų, s-Butyl o-ethyl ethylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Butyl o-ethyl 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 s-Butyl o-ethyl ethylphosphonothioate?
The CAS number of s-Butyl o-ethyl ethylphosphonothioate is 51116-01-9.
What is the molecular formula of s-Butyl o-ethyl ethylphosphonothioate?
The molecular formula of s-Butyl o-ethyl ethylphosphonothioate is C8H19O2PS.
What is the molecular weight of s-Butyl o-ethyl ethylphosphonothioate?
The molecular weight of s-Butyl o-ethyl ethylphosphonothioate is 210.08 g/mol.
Where can I buy s-Butyl o-ethyl ethylphosphonothioate?
You can request a quote for s-Butyl o-ethyl ethylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Butyl o-ethyl ethylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for s-Butyl o-ethyl ethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.