Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester
TL;DR: Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester (CAS 3820-53-9) is a chemical compound with molecular formula C8H10NO5PS and molecular weight 263.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dimethoxyphosphorylsulfanyl-4-nitrobenzene
Also Known As: Methyl parathion S-isomer, Dimethyl paranitrophenyl thionophosphate, O,O-Dimethyl S-(4-nitrophenyl)thiophosphate, O,O-Dimethyl S-(p-nitrophenyl) phosphorothioate, ThiophosphoricacidO,O-dimethylS- ester
| Molecular Formula | C8H10NO5PS |
|---|---|
| Molecular Weight | 263.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.00174 |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 3820-53-9 |
|---|---|
| SMILES | COP(=O)(OC)SC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | DHPZHUPSZPYWMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester (CAS 3820-53-9), with molecular formula C8H10NO5PS and molecular weight 263.00 g/mol. IUPAC: 1-dimethoxyphosphorylsulfanyl-4-nitrobenzene.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester
Property Insights of Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) 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,O-dimethyl S-(p-nitrophenyl) ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester is 3820-53-9.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester is C8H10NO5PS.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester is 263.00 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) 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-dimethyl S-(p-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.