![o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate structure](/static/products/6799/67998-94-1.webp)
o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate
TL;DR: o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate (CAS 67998-94-1) 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.
ethoxy-methoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane
Also Known As: o-ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate, ethoxy-methoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-, Ethoxy-methoxy-(3-methyl-4-methylsulfanyl-phenoxy)-sulfanylidene-phosphorane, Phosphorothioic acid, O-ethyl O-methyl O-(3-methyl-4-(methylthio)phenyl) ester, PHOSPHOROTHIOIC ACID,O-ETHYL O-METHYL O-[3-METHYL-4-(METHYLTHIO)PHENYL] ESTER
| Molecular Formula | C11H17O3PS2 |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.03568 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 67998-94-1 |
|---|---|
| SMILES | CCOP(=S)(OC)OC1=CC(=C(C=C1)SC)C |
| InChIKey | LBSJDKVSJIOISM-UHFFFAOYSA-N |
Product Overview
o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate (CAS 67998-94-1), with molecular formula C11H17O3PS2 and molecular weight 292.04 g/mol. IUPAC: ethoxy-methoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate
Property Insights of o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate
The XLogP value of 4.5 indicates that o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate 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 o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate. Following Lipinski's Rule of Five, o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)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-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate?
The CAS number of o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate is 67998-94-1.
What is the molecular formula of o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate?
The molecular formula of o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate is C11H17O3PS2.
What is the molecular weight of o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate?
The molecular weight of o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate is 292.04 g/mol.
Where can I buy o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate?
You can request a quote for o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)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-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for o-Ethyl o-methyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.