Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester
TL;DR: Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester (CAS 84872-45-7) is a chemical compound with molecular formula C14H12Cl3O2PS and molecular weight 379.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-phenyl-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane
Also Known As: NIOSH/TB1950000, O-Ethyl O-(2,4,5-trichlorophenyl) phenylphosphonothioate, Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester, ethoxy-phenyl-sulfanylidene-(2,4,5-trichlorophenoxy)-, Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl)
| Molecular Formula | C14H12Cl3O2PS |
|---|---|
| Molecular Weight | 379.94 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.93613 |
| Heavy Atoms | 21 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 84872-45-7 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Cl)Cl |
| InChIKey | QAGTXFPZQLTLGL-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester (CAS 84872-45-7), with molecular formula C14H12Cl3O2PS and molecular weight 379.94 g/mol. IUPAC: ethoxy-phenyl-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester
Property Insights of Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester
The XLogP value of 6.6 indicates that Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester?
The CAS number of Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester is 84872-45-7.
What is the molecular formula of Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester?
The molecular formula of Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester is C14H12Cl3O2PS.
What is the molecular weight of Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester?
The molecular weight of Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester is 379.94 g/mol.
Where can I buy Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester?
You can request a quote for Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, phenyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.