Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester
TL;DR: Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester (CAS 2225-23-2) is a chemical compound with molecular formula C16H18O4S4 and molecular weight 402.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[2-(4-methylphenyl)sulfonylsulfanylethylsulfanylsulfonyl]benzene
Also Known As: Ethylene Di(thiotosylate), Ethylenedithiotosylate, Ethylenedi(thiotosylate), Ethylene S,S'-4-toluenethiosulphonate, 1,2-Di(p-tosylthio)ethane
| Molecular Formula | C16H18O4S4 |
|---|---|
| Molecular Weight | 402.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.0088 |
| Heavy Atoms | 24 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 2225-23-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)SCCSS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | DUFUGAKEFZRFEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester (CAS 2225-23-2), with molecular formula C16H18O4S4 and molecular weight 402.01 g/mol. IUPAC: 1-methyl-4-[2-(4-methylphenyl)sulfonylsulfanylethylsulfanylsulfonyl]benzene.
Chemical Property Profile of Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester
Property Insights of Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester
The XLogP value of 3.7 indicates that Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl 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 Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester?
The CAS number of Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester is 2225-23-2.
What is the molecular formula of Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester?
The molecular formula of Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester is C16H18O4S4.
What is the molecular weight of Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester?
The molecular weight of Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester is 402.01 g/mol.
Where can I buy Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester?
You can request a quote for Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonothioic acid, 4-methyl-, S1,S1'-1,2-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.