Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester
TL;DR: Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester (CAS 2636-25-1) is a chemical compound with molecular formula C10H15OPS2 and molecular weight 246.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Bayer 34098, O-(3-Methyl-4-(methylthio)phenyl) dimethylphosphinothioate, Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester, dimethyl-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-, O-[3-methyl-4-(methylsulfanyl)phenyl] dimethylphosphinothioate
| Molecular Formula | C10H15OPS2 |
|---|---|
| Molecular Weight | 246.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.0302 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 2636-25-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OP(=S)(C)C)SC |
| InChIKey | IMWZFUZAMUZWAA-UHFFFAOYSA-N |
Product Overview
Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester (CAS 2636-25-1), with molecular formula C10H15OPS2 and molecular weight 246.03 g/mol. IUPAC: dimethyl-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester
Property Insights of Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester
The XLogP value of 4.0 indicates that Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester. Following Lipinski's Rule of Five, Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester has 0 hydrogen bond donor(s) and 3 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 Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester?
The CAS number of Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester is 2636-25-1.
What is the molecular formula of Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester?
The molecular formula of Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester is C10H15OPS2.
What is the molecular weight of Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester?
The molecular weight of Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester is 246.03 g/mol.
Where can I buy Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester?
You can request a quote for Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphinothioic acid, dimethyl-, O-(3-methyl-4-(methylthio)phenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.