Phosphonothioic acid, ethyl-, S-butyl O-methyl ester
TL;DR: Phosphonothioic acid, ethyl-, S-butyl O-methyl ester (CAS 40618-52-8) 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-ethyl-methoxy-sulfanylidene-λ5-phosphane
Also Known As: Ethylphosphonothioic acid S-butyl O-methyl ester, Phosphonothioic acid, ethyl-, S-butyl O-methyl ester, butan-2-yloxy-ethyl-methoxy-sulfanylidene-, O-Butan-2-yl O-methyl ethylphosphonothioate, O-(Butan-2-yl) O-methyl ethylphosphonothioate
| Molecular Formula | C7H17O2PS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.0687 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 40618-52-8 |
|---|---|
| SMILES | CCC(C)OP(=S)(CC)OC |
| InChIKey | OVHXSGQXSCKHTD-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, ethyl-, S-butyl O-methyl ester (CAS 40618-52-8), with molecular formula C7H17O2PS and molecular weight 196.07 g/mol. IUPAC: butan-2-yloxy-ethyl-methoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, ethyl-, S-butyl O-methyl ester
Property Insights of Phosphonothioic acid, ethyl-, S-butyl O-methyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonothioic acid, ethyl-, S-butyl O-methyl ester. With a topological polar surface area (TPSA) of 50.6 Ų, Phosphonothioic acid, ethyl-, S-butyl O-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, ethyl-, S-butyl O-methyl ester 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 Phosphonothioic acid, ethyl-, S-butyl O-methyl ester?
The CAS number of Phosphonothioic acid, ethyl-, S-butyl O-methyl ester is 40618-52-8.
What is the molecular formula of Phosphonothioic acid, ethyl-, S-butyl O-methyl ester?
The molecular formula of Phosphonothioic acid, ethyl-, S-butyl O-methyl ester is C7H17O2PS.
What is the molecular weight of Phosphonothioic acid, ethyl-, S-butyl O-methyl ester?
The molecular weight of Phosphonothioic acid, ethyl-, S-butyl O-methyl ester is 196.07 g/mol.
Where can I buy Phosphonothioic acid, ethyl-, S-butyl O-methyl ester?
You can request a quote for Phosphonothioic acid, ethyl-, S-butyl O-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonothioic acid, ethyl-, S-butyl O-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, ethyl-, S-butyl O-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.