Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester
TL;DR: Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester (CAS 7205-22-3) 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.
2-(dimethoxyphosphorylsulfanylmethyl)-4-methyl-1-methylsulfanylbenzene
Also Known As: Bayer 56582, Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester, 2-(dimethoxyphosphorylsulfanylmethyl)-4-methyl-1-methylsulfanylbenzene, O,O-Dimethyl S-{[5-methyl-2-(methylsulfanyl)phenyl]methyl} phosphorothioate, RefChem:371377
| Molecular Formula | C11H17O3PS2 |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.03568 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 7205-22-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)SC)CSP(=O)(OC)OC |
| InChIKey | XGWWGNFDTNLHBE-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester (CAS 7205-22-3), with molecular formula C11H17O3PS2 and molecular weight 292.04 g/mol. IUPAC: 2-(dimethoxyphosphorylsulfanylmethyl)-4-methyl-1-methylsulfanylbenzene.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester
Property Insights of Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) 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,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester is 7205-22-3.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester is C11H17O3PS2.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester is 292.04 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) 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 S-(5-methyl-2-(methylthio)benzyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl S-(5-methyl-2-(methylthio)benzyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.