O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate
TL;DR: O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate (CAS 86889-53-4) is a chemical compound with molecular formula C13H10Cl3O2PS and molecular weight 365.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methoxy-phenyl-sulfanylidene-(2,3,4-trichlorophenoxy)-λ5-phosphane
Also Known As: O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate, Phenylphosphonothioic acid O-methyl O-(2,3,4-trichlorophenyl) ester, Phosphonothioic acid, phenyl-, O-methyl O-(2,3,4-trichlorophenyl) ester, methoxy-phenyl-sulfanylidene-(2,3,4-trichlorophenoxy)-, RefChem:1093684
| Molecular Formula | C13H10Cl3O2PS |
|---|---|
| Molecular Weight | 365.92 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.92047 |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 86889-53-4 |
|---|---|
| SMILES | COP(=S)(C1=CC=CC=C1)OC2=C(C(=C(C=C2)Cl)Cl)Cl |
| InChIKey | QKWQFJHFMQYCSF-UHFFFAOYSA-N |
Product Overview
O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate (CAS 86889-53-4), with molecular formula C13H10Cl3O2PS and molecular weight 365.92 g/mol. IUPAC: methoxy-phenyl-sulfanylidene-(2,3,4-trichlorophenoxy)-λ5-phosphane.
Chemical Property Profile of O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate
Property Insights of O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate
The XLogP value of 6.2 indicates that O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate 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 O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate?
The CAS number of O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate is 86889-53-4.
What is the molecular formula of O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate?
The molecular formula of O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate is C13H10Cl3O2PS.
What is the molecular weight of O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate?
The molecular weight of O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate is 365.92 g/mol.
Where can I buy O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate?
You can request a quote for O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Methyl O-(2,3,4-trichlorophenyl) phenylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.