Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester
TL;DR: Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester (CAS 5954-10-9) is a chemical compound with molecular formula C10H10Cl5O3PS and molecular weight 415.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentachloro-6-diethoxyphosphorylsulfanylbenzene
Also Known As: Monsanto CP-11903, Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester, o,o-diethyl s-(pentachlorophenyl) phosphorothioate, O,O-Diethyl S-pentachlorophenyl phosphorothioate, 1,2,3,4,5-pentachloro-6-diethoxyphosphorylsulfanyl-benzene
| Molecular Formula | C10H10Cl5O3PS |
|---|---|
| Molecular Weight | 415.85 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.85013 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 5954-10-9 |
|---|---|
| SMILES | CCOP(=O)(OCC)SC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | PFQVWSAUKWVGGW-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester (CAS 5954-10-9), with molecular formula C10H10Cl5O3PS and molecular weight 415.85 g/mol. IUPAC: 1,2,3,4,5-pentachloro-6-diethoxyphosphorylsulfanylbenzene.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester
Property Insights of Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester
The XLogP value of 5.3 indicates that Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl 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 Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester?
The CAS number of Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester is 5954-10-9.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester is C10H10Cl5O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester is 415.85 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl 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,O-diethyl S-pentachlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-pentachlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.