Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester
TL;DR: Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester (CAS 55-37-8) is a chemical compound with molecular formula C11H17O3PS2 and molecular weight 292.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-4-methylsulfanylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Bayer 9018, Bayer 37342, BAY 37342, ENT 25684, AI3-25684
| Molecular Formula | C11H17O3PS2 |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.03568 |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 55-37-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1SC)C)OP(=S)(OC)OC |
| InChIKey | QJRJJAATXDHPGQ-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester (CAS 55-37-8), with molecular formula C11H17O3PS2 and molecular weight 292.04 g/mol. IUPAC: (3,5-dimethyl-4-methylsulfanylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester
Property Insights of Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester
The XLogP value of 4.6 indicates that Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester 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 Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester?
The CAS number of Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester is 55-37-8.
What is the molecular formula of Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester?
The molecular formula of Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester is C11H17O3PS2.
What is the molecular weight of Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester?
The molecular weight of Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester is 292.04 g/mol.
Where can I buy Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester?
You can request a quote for Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl 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-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.