Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester
TL;DR: Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester (CAS 1085-25-2) 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-(2-methyl-4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: 2-Methyl-4-nitrophenyl dimethyl phosphorothioate, O,O-Dimethyl O-(4-nitro-o-tolyl) phosphorothioate, o,o-dimethyl o-(2-methyl-4-nitrophenyl) phosphorothioate, Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester, dimethoxy-(2-methyl-4-nitrophenoxy)-sulfanylidene-
| 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 | 1085-25-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])OP(=S)(OC)OC |
| InChIKey | JUCIDFBWKTXZNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester (CAS 1085-25-2), with molecular formula C9H12NO5PS and molecular weight 277.02 g/mol. IUPAC: dimethoxy-(2-methyl-4-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester
Property Insights of Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester
The XLogP value of 3.3 indicates that Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester 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 Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) 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 O-(4-nitro-o-tolyl) ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester is 1085-25-2.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester is C9H12NO5PS.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester is 277.02 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) 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 O-(4-nitro-o-tolyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl O-(4-nitro-o-tolyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.