Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester
TL;DR: Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester (CAS 99867-42-2) is a chemical compound with molecular formula C10H23O3PS2 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanylethoxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: O-(2-(Butylthio)ethyl) O,O-diethyl phosphorothioate, 4-01-00-02448 (Beilstein Handbook Reference), Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester, 2-butylsulfanylethoxy-diethoxy-sulfanylidene-, O-[2-(Butylsulfanyl)ethyl] O,O-diethyl phosphorothioate
| Molecular Formula | C10H23O3PS2 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 3.8338 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 286.0826 |
| Heavy Atoms | 16 |
| Complexity | 192.50316 |
Chemical Identifiers
| CAS Number | 99867-42-2 |
|---|---|
| SMILES | CCCCSCCOP(=S)(OCC)OCC |
Product Overview
Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester (CAS 99867-42-2), with molecular formula C10H23O3PS2 and molecular weight 286.08 g/mol. IUPAC: 2-butylsulfanylethoxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester
Property Insights of Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester
The XLogP value of 3.8338 indicates that Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.69 Ų, Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl 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-(2-(butylthio)ethyl) O,O-diethyl ester?
The CAS number of Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester is 99867-42-2.
What is the molecular formula of Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester is C10H23O3PS2.
What is the molecular weight of Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester is 286.08 g/mol.
Where can I buy Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl 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-(2-(butylthio)ethyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(2-(butylthio)ethyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.