O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate
TL;DR: O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate (CAS 28397-59-3) is a chemical compound with molecular formula C10H15O3PS2 and molecular weight 278.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[methoxy(methylsulfanyl)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene
Also Known As: Isofenthion, O,S-Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate, o,s-dimethyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate, Phosphorothioic acid, O,S-dimethyl O-(4-(methylthio)-m-tolyl) ester, Phosphorothioic acid, O,S-dimethyl O-[4-(methylthio)-m-tolyl] ester
| Molecular Formula | C10H15O3PS2 |
|---|---|
| Molecular Weight | 278.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.02002 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 28397-59-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OP(=O)(OC)SC)SC |
| InChIKey | UYWDLWPAXCHVNZ-UHFFFAOYSA-N |
Product Overview
O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate (CAS 28397-59-3), with molecular formula C10H15O3PS2 and molecular weight 278.02 g/mol. IUPAC: 4-[methoxy(methylsulfanyl)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene.
Chemical Property Profile of O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate
Property Insights of O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate. Following Lipinski's Rule of Five, O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate 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 O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate?
The CAS number of O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate is 28397-59-3.
What is the molecular formula of O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate?
The molecular formula of O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate is C10H15O3PS2.
What is the molecular weight of O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate?
The molecular weight of O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate is 278.02 g/mol.
Where can I buy O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate?
You can request a quote for O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O,S-Dimethyl O-(3-methyl-4-(methylthio)phenyl) phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.