![1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene structure](/static/products/861/86148-27-8.png)
1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene
TL;DR: 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene (CAS 86148-27-8) is a chemical compound with molecular formula C16H14S2 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[2-(4-methylphenyl)sulfanylethynylsulfanyl]benzene
Also Known As: Bis(p-tolylthio)ethyne, Bis(p-tolylthio)acetylene, 1,2-bis(p-tolylthio)ethyne, 1,2-Bis(p-methylphenylthio)ethyne, J1.160.046H
| Molecular Formula | C16H14S2 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.05368 |
| Heavy Atoms | 18 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 86148-27-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC#CSC2=CC=C(C=C2)C |
| InChIKey | RBPVFTCBYAQCAT-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene (CAS 86148-27-8), with molecular formula C16H14S2 and molecular weight 270.05 g/mol. IUPAC: 1-methyl-4-[2-(4-methylphenyl)sulfanylethynylsulfanyl]benzene.
Chemical Property Profile of 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene
Property Insights of 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene
The XLogP value of 6.0 indicates that 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene?
The CAS number of 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene is 86148-27-8.
What is the molecular formula of 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene?
The molecular formula of 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene is C16H14S2.
What is the molecular weight of 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene?
The molecular weight of 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene is 270.05 g/mol.
Where can I buy 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene?
You can request a quote for 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)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-({[(4-methylphenyl)thio]ethynyl}thio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-({[(4-methylphenyl)thio]ethynyl}thio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.