Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester
TL;DR: Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester (CAS 18596-51-5) is a chemical compound with molecular formula C11H15Cl2O2PS2 and molecular weight 343.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenoxy)methylsulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane
Also Known As: Stauffer N-5196, ENT 27,298, N-5196, S-((2,4-Dichlorophenoxy)methyl) O-ethyl ethylphosphonodithioate, 3,5-Bis(aminomethyl)benzoic acid dihydrochloride
| Molecular Formula | C11H15Cl2O2PS2 |
|---|---|
| Molecular Weight | 343.96 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.96283 |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 18596-51-5 |
|---|---|
| SMILES | CCOP(=S)(CC)SCOC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | ANDKQEZSSZZOHA-UHFFFAOYSA-N |
Product Overview
Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester (CAS 18596-51-5), with molecular formula C11H15Cl2O2PS2 and molecular weight 343.96 g/mol. IUPAC: (2,4-dichlorophenoxy)methylsulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester
Property Insights of Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester
The XLogP value of 5.3 indicates that Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester. Following Lipinski's Rule of Five, Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester?
The CAS number of Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester is 18596-51-5.
What is the molecular formula of Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester?
The molecular formula of Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester is C11H15Cl2O2PS2.
What is the molecular weight of Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester?
The molecular weight of Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester is 343.96 g/mol.
Where can I buy Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester?
You can request a quote for Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.