O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate
TL;DR: O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate (CAS 71432-20-7) is a chemical compound with molecular formula C13H11Cl2O2PS and molecular weight 331.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-λ5-phosphane
Also Known As: Phenylphosphonothioic acid O-(3,5-dichlorophenyl) O-methyl ester, O-(3,5-Dichlorophenyl) O-methyl phenyl thiophosphonate, (3,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene, O-(3,5-dichlorophenyl) O-methyl phenylphosphonothioate, (3,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-
| Molecular Formula | C13H11Cl2O2PS |
|---|---|
| Molecular Weight | 331.96 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.95944 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 71432-20-7 |
|---|---|
| SMILES | COP(=S)(C1=CC=CC=C1)OC2=CC(=CC(=C2)Cl)Cl |
| InChIKey | LDQKDZDQQPPUPM-UHFFFAOYSA-N |
Product Overview
O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate (CAS 71432-20-7), with molecular formula C13H11Cl2O2PS and molecular weight 331.96 g/mol. IUPAC: (3,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate
Property Insights of O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate
The XLogP value of 5.6 indicates that O-(3,5-Dichlorophenyl) O-methyl 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-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(3,5-Dichlorophenyl) O-methyl 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-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate?
The CAS number of O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate is 71432-20-7.
What is the molecular formula of O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate?
The molecular formula of O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate is C13H11Cl2O2PS.
What is the molecular weight of O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate?
The molecular weight of O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate is 331.96 g/mol.
Where can I buy O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate?
You can request a quote for O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(3,5-Dichlorophenyl) O-methyl phenylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.