Dimethyl 4-(methylthio)phenyl phosphate
TL;DR: Dimethyl 4-(methylthio)phenyl phosphate (CAS 3254-63-5) is a chemical compound with molecular formula C9H13O4PS and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (4-methylsulfanylphenyl) phosphate
Also Known As: Fenthion oxon, Phosphoric acid, Caswell No. 370, Fenthion S 2145 oxon, Allied GC-6506
| Molecular Formula | C9H13O4PS |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.02722 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
| Boiling Point | 300 °C @760 [mm Hg] |
| Density | 1.273 at 21.4 °C |
| Solubility | AT ROOM TEMPERATURE IS: 98 MG/L WATER; 890 G/L ACETONE; 540 G/L DIOXANE; 580 G/L CARBON TETRACHLORIDE; 860 G/L ETHANOL; MORE THAN 1 KG/L XYLENE |
| Vapor Pressure | 0.001 [mm Hg] @25 °C |
| Refractive Index | 1.5349 @ 25 °C |
Chemical Identifiers
| CAS Number | 3254-63-5 |
|---|---|
| SMILES | COP(=O)(OC)OC1=CC=C(C=C1)SC |
| InChIKey | BUDNNLHZOCBLAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 4-(methylthio)phenyl phosphate (CAS 3254-63-5), with molecular formula C9H13O4PS and molecular weight 248.03 g/mol. IUPAC: dimethyl (4-methylsulfanylphenyl) phosphate.
Chemical Property Profile of Dimethyl 4-(methylthio)phenyl phosphate
Property Insights of Dimethyl 4-(methylthio)phenyl phosphate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-(methylthio)phenyl phosphate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-(methylthio)phenyl phosphate. Following Lipinski's Rule of Five, Dimethyl 4-(methylthio)phenyl phosphate has 0 hydrogen bond donor(s) and 5 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 Dimethyl 4-(methylthio)phenyl phosphate?
The CAS number of Dimethyl 4-(methylthio)phenyl phosphate is 3254-63-5.
What is the molecular formula of Dimethyl 4-(methylthio)phenyl phosphate?
The molecular formula of Dimethyl 4-(methylthio)phenyl phosphate is C9H13O4PS.
What is the molecular weight of Dimethyl 4-(methylthio)phenyl phosphate?
The molecular weight of Dimethyl 4-(methylthio)phenyl phosphate is 248.03 g/mol.
Where can I buy Dimethyl 4-(methylthio)phenyl phosphate?
You can request a quote for Dimethyl 4-(methylthio)phenyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-(methylthio)phenyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-(methylthio)phenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.