Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester (CAS 3070-15-3) is a chemical compound with molecular formula C11H17O3PS2 and molecular weight 292.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Fensulfothion sulfide, Fensulfothion-sulfide, AI3-25551, Phosphorothioic acid, O,O-diethyl O-[4-(methylthio)phenyl] ester, O,O-Diethyl O-(p-methylthio)phenyl phosphorothioate
| Molecular Formula | C11H17O3PS2 |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.03568 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 3070-15-3 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC=C(C=C1)SC |
| InChIKey | NYAZLCBHRWRNRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester (CAS 3070-15-3), with molecular formula C11H17O3PS2 and molecular weight 292.04 g/mol. IUPAC: diethoxy-(4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester
The XLogP value of 4.2 indicates that Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester has 0 hydrogen bond donor(s) and 5 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 Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester is 3070-15-3.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester is C11H17O3PS2.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester is 292.04 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.