Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester
TL;DR: Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester (CAS 59010-86-5) is a chemical compound with molecular formula C17H20ClO3PS2 and molecular weight 402.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfanyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
Also Known As: Diphenprofos, RH 0994, MV 770, AI3-29409, RH-40,994
| Molecular Formula | C17H20ClO3PS2 |
|---|---|
| Molecular Weight | 402.03 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 402.028 |
| Heavy Atoms | 24 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 59010-86-5 |
|---|---|
| SMILES | CCCSP(=O)(OCC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)Cl |
| InChIKey | IQEADSTVCRSHDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester (CAS 59010-86-5), with molecular formula C17H20ClO3PS2 and molecular weight 402.03 g/mol. IUPAC: 1-(4-chlorophenyl)sulfanyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene.
Chemical Property Profile of Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester
Property Insights of Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester
The XLogP value of 5.4 indicates that Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester?
The CAS number of Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester is 59010-86-5.
What is the molecular formula of Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester?
The molecular formula of Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester is C17H20ClO3PS2.
What is the molecular weight of Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester?
The molecular weight of Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester is 402.03 g/mol.
Where can I buy Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester?
You can request a quote for Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.