Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester
TL;DR: Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester (CAS 19594-33-3) is a chemical compound with molecular formula C11H21O6PS2 and molecular weight 344.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-diethoxyphosphinothioylsulfanylpropanedioate
Also Known As: Malonate malathion, diethyl 2-diethoxyphosphinothioylsulfanylpropanedioate, 4-03-00-01122 (Beilstein Handbook Reference), Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester, O,O-Diethyl (S-1-(1,1-dicarbethoxy)methyl) phosphorodithioate
| Molecular Formula | C11H21O6PS2 |
|---|---|
| Molecular Weight | 344.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 344.05173 |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 19594-33-3 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)SP(=S)(OCC)OCC |
| InChIKey | WBWDYIRJCFTWGN-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester (CAS 19594-33-3), with molecular formula C11H21O6PS2 and molecular weight 344.05 g/mol. IUPAC: diethyl 2-diethoxyphosphinothioylsulfanylpropanedioate.
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester
Property Insights of Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester
The XLogP value of 3.1 indicates that Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester has 0 hydrogen bond donor(s) and 8 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-(dicarbethoxy)methyl) ester?
The CAS number of Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester is 19594-33-3.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester?
The molecular formula of Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester is C11H21O6PS2.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester?
The molecular weight of Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester is 344.05 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester?
You can request a quote for Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) 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-(dicarbethoxy)methyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl (S-(dicarbethoxy)methyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.