Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester
TL;DR: Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester (CAS 3772-53-0) is a chemical compound with molecular formula C9H21O2PS3 and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-(2-propylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane
Also Known As: 4-01-00-02466 (Beilstein Handbook Reference), Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester, diethoxy-(2-propylsulfanylethylsulfanyl)-sulfanylidene-, O,O-diethyl S-[2-(propylsulfanyl)ethyl] phosphorodithioate, diethoxy-(2-propylsulfanylethylsulfanyl)-sulfanylidene-lambda5-ph
| Molecular Formula | C9H21O2PS3 |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 288.04413 |
| Heavy Atoms | 15 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 3772-53-0 |
|---|---|
| SMILES | CCCSCCSP(=S)(OCC)OCC |
| InChIKey | YPCCYQSGPMDACI-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester (CAS 3772-53-0), with molecular formula C9H21O2PS3 and molecular weight 288.04 g/mol. IUPAC: diethoxy-(2-propylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester
Property Insights of Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester
The XLogP value of 4.5 indicates that Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)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 Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester?
The CAS number of Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester is 3772-53-0.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester?
The molecular formula of Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester is C9H21O2PS3.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester?
The molecular weight of Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester is 288.04 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester?
You can request a quote for Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl S-(2-(propylthio)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.