![1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene structure](/static/products/1112/111238-61-0.webp)
1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene
TL;DR: 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene (CAS 111238-61-0) is a chemical compound with molecular formula C18H20O4S4 and molecular weight 428.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[(E)-4-(4-methylphenyl)sulfonylsulfanylbut-2-enyl]sulfanylsulfonylbenzene
Also Known As: S,S'-but-2-ene-1,4-diyl bis(4-methylbenzenesulfonothioate), 1-methyl-4-[(E)-4-(4-methylphenyl)sulfonylsulfanylbut-2-enyl]sulfanylsulfonylbenzene, 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene, S-(4-(((4-Methylphenyl)(dioxido)sulfanyl)thio)-2-butenyl) 4-methylbenzenesulfonothioate
| Molecular Formula | C18H20O4S4 |
|---|---|
| Molecular Weight | 428.02 g/mol |
| LogP | 4.40364 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.02444 |
| Heavy Atoms | 26 |
| Complexity | 877.3561 |
Chemical Identifiers
| CAS Number | 111238-61-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)SC/C=C/CSS(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene (CAS 111238-61-0), with molecular formula C18H20O4S4 and molecular weight 428.02 g/mol. IUPAC: 1-methyl-4-[(E)-4-(4-methylphenyl)sulfonylsulfanylbut-2-enyl]sulfanylsulfonylbenzene.
Chemical Property Profile of 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene
Property Insights of 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene
The XLogP value of 4.40364 indicates that 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene. Following Lipinski's Rule of Five, 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene 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 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene?
The CAS number of 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene is 111238-61-0.
What is the molecular formula of 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene?
The molecular formula of 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene is C18H20O4S4.
What is the molecular weight of 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene?
The molecular weight of 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene is 428.02 g/mol.
Where can I buy 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene?
You can request a quote for 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-4-[(E)-4-(p-tolylsulfonylsulfanyl)but-2-enyl]sulfanylsulfonyl-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.