Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester (CAS 682-52-0) is a chemical compound with molecular formula C7H17O3PS2 and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(2-methylsulfanylethoxy)-sulfanylidene-λ5-phosphane
Also Known As: Piperidine-4,4-diol Hydrochloride, O,O-Diethyl O-(2-(methylthio)ethyl) phosphorothioate, o,o-diethyl o-[2-(methylsulfanyl)ethyl] phosphorothioate, diethoxy-(2-methylsulfanylethoxy)-sulfanylidene-, 4-01-00-02445 (Beilstein Handbook Reference)
| Molecular Formula | C7H17O3PS2 |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 244.03568 |
| Heavy Atoms | 13 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 682-52-0 |
|---|---|
| SMILES | CCOP(=S)(OCC)OCCSC |
| InChIKey | SVTPZILLMCKBBM-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester (CAS 682-52-0), with molecular formula C7H17O3PS2 and molecular weight 244.04 g/mol. IUPAC: diethoxy-(2-methylsulfanylethoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) 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-(2-(methylthio)ethyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester is 682-52-0.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester is C7H17O3PS2.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester is 244.04 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) 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-(2-(methylthio)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl O-(2-(methylthio)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.