Thiophenol, 3,5-dimethyl-S-ethoxythion-
TL;DR: Thiophenol, 3,5-dimethyl-S-ethoxythion- (CAS 89816-83-1) is a chemical compound with molecular formula C11H14OS2 and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl (3,5-dimethylphenyl)sulfanylmethanethioate
Also Known As: Thiophenol, 3,5-dimethyl-S-ethoxythion-, O-ethyl (3,5-dimethylphenyl)sulfanylmethanethioate, S-(3,5-Dimethylphenyl) o-ethyl dithiocarbonate #, Carbonodithioic acid, S-(3,5-dimethylphenyl) O-ethyl ester
| Molecular Formula | C11H14OS2 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.04861 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 89816-83-1 |
|---|---|
| SMILES | CCOC(=S)SC1=CC(=CC(=C1)C)C |
| InChIKey | ULLVRZQPOQRECW-UHFFFAOYSA-N |
Product Overview
Thiophenol, 3,5-dimethyl-S-ethoxythion- (CAS 89816-83-1), with molecular formula C11H14OS2 and molecular weight 226.05 g/mol. IUPAC: O-ethyl (3,5-dimethylphenyl)sulfanylmethanethioate.
Chemical Property Profile of Thiophenol, 3,5-dimethyl-S-ethoxythion-
Property Insights of Thiophenol, 3,5-dimethyl-S-ethoxythion-
The XLogP value of 4.3 indicates that Thiophenol, 3,5-dimethyl-S-ethoxythion- 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 Thiophenol, 3,5-dimethyl-S-ethoxythion-. Following Lipinski's Rule of Five, Thiophenol, 3,5-dimethyl-S-ethoxythion- 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 Thiophenol, 3,5-dimethyl-S-ethoxythion-?
The CAS number of Thiophenol, 3,5-dimethyl-S-ethoxythion- is 89816-83-1.
What is the molecular formula of Thiophenol, 3,5-dimethyl-S-ethoxythion-?
The molecular formula of Thiophenol, 3,5-dimethyl-S-ethoxythion- is C11H14OS2.
What is the molecular weight of Thiophenol, 3,5-dimethyl-S-ethoxythion-?
The molecular weight of Thiophenol, 3,5-dimethyl-S-ethoxythion- is 226.05 g/mol.
Where can I buy Thiophenol, 3,5-dimethyl-S-ethoxythion-?
You can request a quote for Thiophenol, 3,5-dimethyl-S-ethoxythion- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophenol, 3,5-dimethyl-S-ethoxythion-?
Yes, KEHONG BIO provides custom synthesis services for Thiophenol, 3,5-dimethyl-S-ethoxythion- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.