O-Butan-2-yl O-ethyl methylphosphonothioate
TL;DR: O-Butan-2-yl O-ethyl methylphosphonothioate (CAS 65167-56-8) is a chemical compound with molecular formula C7H17O2PS and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yloxy-ethoxy-methyl-sulfanylidene-λ5-phosphane
Also Known As: (+-)-Ethyl S-butyl methylphosphonothioate, (+-)-S-Butyl O-ethyl methylphosphonothioate, O-Butan-2-yl O-ethyl methylphosphonothioate, (+)-Ethyl S-butyl methylphosphonothioate, (-)-Ethyl S-butyl methylphosphonothioate
| Molecular Formula | C7H17O2PS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.7773 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.0687 |
| Heavy Atoms | 11 |
| Complexity | 149.376 |
Chemical Identifiers
| CAS Number | 65167-56-8 |
|---|---|
| SMILES | CCC(C)OP(=S)(C)OCC |
Product Overview
O-Butan-2-yl O-ethyl methylphosphonothioate (CAS 65167-56-8), with molecular formula C7H17O2PS and molecular weight 196.07 g/mol. IUPAC: butan-2-yloxy-ethoxy-methyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Butan-2-yl O-ethyl methylphosphonothioate
Property Insights of O-Butan-2-yl O-ethyl methylphosphonothioate
The XLogP value of 2.7773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Butan-2-yl O-ethyl methylphosphonothioate. With a topological polar surface area (TPSA) of 18.46 Ų, O-Butan-2-yl O-ethyl methylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Butan-2-yl O-ethyl methylphosphonothioate 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-Butan-2-yl O-ethyl methylphosphonothioate?
The CAS number of O-Butan-2-yl O-ethyl methylphosphonothioate is 65167-56-8.
What is the molecular formula of O-Butan-2-yl O-ethyl methylphosphonothioate?
The molecular formula of O-Butan-2-yl O-ethyl methylphosphonothioate is C7H17O2PS.
What is the molecular weight of O-Butan-2-yl O-ethyl methylphosphonothioate?
The molecular weight of O-Butan-2-yl O-ethyl methylphosphonothioate is 196.07 g/mol.
Where can I buy O-Butan-2-yl O-ethyl methylphosphonothioate?
You can request a quote for O-Butan-2-yl O-ethyl methylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Butan-2-yl O-ethyl methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Butan-2-yl O-ethyl methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.