Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester
TL;DR: Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester (CAS 98789-52-7) is a chemical compound with molecular formula C11H17O3PS3 and molecular weight 324.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-[3-methyl-2,4-bis(methylsulfanyl)phenoxy]-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester, Dimethoxy-[3-methyl-2,4-bis(methylsulfanyl)phenoxy]-sulfanylidene-phosphorane, dimethoxy-[3-methyl-2,4-bis(methylsulfanyl)phenoxy]-sulfanylidene-, O,O-Dimethyl O-[3-methyl-2,4-bis(methylsulfanyl)phenyl] phosphorothioate
| Molecular Formula | C11H17O3PS3 |
|---|---|
| Molecular Weight | 324.01 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.00775 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 98789-52-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1SC)OP(=S)(OC)OC)SC |
| InChIKey | OMTOBTCYHWVSDZ-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester (CAS 98789-52-7), with molecular formula C11H17O3PS3 and molecular weight 324.01 g/mol. IUPAC: dimethoxy-[3-methyl-2,4-bis(methylsulfanyl)phenoxy]-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester
Property Insights of Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester
The XLogP value of 4.4 indicates that Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester has 0 hydrogen bond donor(s) and 6 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 O-(3-methyl-2,4-bis(methylthio)phenyl) ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester is 98789-52-7.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester is C11H17O3PS3.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester is 324.01 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(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 Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl O-(3-methyl-2,4-bis(methylthio)phenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.