Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester
TL;DR: Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester (CAS 115-91-3) is a chemical compound with molecular formula C9H13O4PS2 and molecular weight 280.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane
Also Known As: DMSP, Bayer 25198, ENT 24,944, ENT 24944, AI3-24944
| Molecular Formula | C9H13O4PS2 |
|---|---|
| Molecular Weight | 280.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.9993 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 115-91-3 |
|---|---|
| SMILES | COP(=S)(OC)OC1=CC=C(C=C1)S(=O)C |
| InChIKey | DYAVFUPXPKGVQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester (CAS 115-91-3), with molecular formula C9H13O4PS2 and molecular weight 280.00 g/mol. IUPAC: dimethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester
Property Insights of Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) 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-(methylsulfinyl)phenyl) ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester is 115-91-3.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester is C9H13O4PS2.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester is 280.00 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) 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-(methylsulfinyl)phenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)phenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.