O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate
TL;DR: O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate (CAS 724-96-9) is a chemical compound with molecular formula C9H12NO5PS and molecular weight 277.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-(5-methyl-2-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: O,O-Dimethyl O-(6-nitro-m-tolyl) phosphorothioate, O,O-dimethyl O-p-nitro-m-tolyl phosphorothioate, dimethoxy-(5-methyl-2-nitrophenoxy)-sulfanylidene-, O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate, Phosphorothioic acid, O,O-dimethyl O-(6-nitro-m-tolyl) ester
| Molecular Formula | C9H12NO5PS |
|---|---|
| Molecular Weight | 277.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.0174 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 724-96-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])OP(=S)(OC)OC |
| InChIKey | FYRULNKZJJDADM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate (CAS 724-96-9), with molecular formula C9H12NO5PS and molecular weight 277.02 g/mol. IUPAC: dimethoxy-(5-methyl-2-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate
Property Insights of O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate
The XLogP value of 3.3 indicates that O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate. Following Lipinski's Rule of Five, O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate 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 O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate?
The CAS number of O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate is 724-96-9.
What is the molecular formula of O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate?
The molecular formula of O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate is C9H12NO5PS.
What is the molecular weight of O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate?
The molecular weight of O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate is 277.02 g/mol.
Where can I buy O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate?
You can request a quote for O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Dimethyl O-(5-methyl-2-nitrophenyl) phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.