Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester
TL;DR: Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester (CAS 84197-36-4) is a chemical compound with molecular formula C10H12Cl2NO5PS and molecular weight 358.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichloro-5-nitrophenoxy)-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: O-(2,4-Dichloro-5-nitrophenyl) O,O-diethyl phosphorothioate, Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester, O,O-Diethyl O-(2,4-dichloro-5-nitrophenyl) phosphorothioate, (2,4-dichloro-5-nitrophenoxy)-diethoxy-sulfanylidene-, BRN 5612303
| Molecular Formula | C10H12Cl2NO5PS |
|---|---|
| Molecular Weight | 358.96 g/mol |
| LogP | 4.5779 |
| Topological Polar Surface Area | 70.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.95508 |
| Heavy Atoms | 20 |
| Complexity | 546.69464 |
Chemical Identifiers
| CAS Number | 84197-36-4 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)Cl |
Product Overview
Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester (CAS 84197-36-4), with molecular formula C10H12Cl2NO5PS and molecular weight 358.96 g/mol. IUPAC: (2,4-dichloro-5-nitrophenoxy)-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester
Property Insights of Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester
The XLogP value of 4.5779 indicates that Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester has 0 hydrogen bond donor(s) and 6 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-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester?
The CAS number of Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester is 84197-36-4.
What is the molecular formula of Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester is C10H12Cl2NO5PS.
What is the molecular weight of Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester is 358.96 g/mol.
Where can I buy Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) 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-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.