Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester
TL;DR: Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester (CAS 61097-63-0) is a chemical compound with molecular formula C10H13Cl2O3PS and molecular weight 313.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dichlorophenoxy)-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: S 4747, (2,5-dichlorophenoxy)-diethoxy-sulfanylidene-, Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester, O-(2,5-Dichlorophenyl) O,O-diethyl phosphorothioate
| Molecular Formula | C10H13Cl2O3PS |
|---|---|
| Molecular Weight | 313.97 g/mol |
| LogP | 4.6697 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.97 |
| Heavy Atoms | 17 |
| Complexity | 418.0121 |
Chemical Identifiers
| CAS Number | 61097-63-0 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=C(C=CC(=C1)Cl)Cl |
Product Overview
Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester (CAS 61097-63-0), with molecular formula C10H13Cl2O3PS and molecular weight 313.97 g/mol. IUPAC: (2,5-dichlorophenoxy)-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester
Property Insights of Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester
The XLogP value of 4.6697 indicates that Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.69 Ų, Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester?
The CAS number of Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester is 61097-63-0.
What is the molecular formula of Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester is C10H13Cl2O3PS.
What is the molecular weight of Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester is 313.97 g/mol.
Where can I buy Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl 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-(2,5-dichlorophenyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(2,5-dichlorophenyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.