1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene)
TL;DR: 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene) (CAS 56573-66-1) is a chemical compound with molecular formula C18H18S2 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-[4-(2-methylphenyl)sulfanylbut-2-ynylsulfanyl]benzene
Also Known As: KST-1B5678, 1,1'-(but-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene), 1-methyl-2-[4-(2-methylphenyl)sulfanylbut-2-ynylsulfanyl]ben, 1,1'-[But-2-yne-1,4-diylbis(sulfanediyl)]bis(2-methylbenzene), 1-methyl-2-[4-(2-methylphenyl)sulfanylbut-2-ynylsulfanyl]benzene
| Molecular Formula | C18H18S2 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.085 |
| Heavy Atoms | 20 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 56573-66-1 |
|---|---|
| SMILES | CC1=CC=CC=C1SCC#CCSC2=CC=CC=C2C |
| InChIKey | NIWCNGNFSSHVGS-UHFFFAOYSA-N |
Product Overview
1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene) (CAS 56573-66-1), with molecular formula C18H18S2 and molecular weight 298.08 g/mol. IUPAC: 1-methyl-2-[4-(2-methylphenyl)sulfanylbut-2-ynylsulfanyl]benzene.
Chemical Property Profile of 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene)
Property Insights of 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene)
The XLogP value of 5.4 indicates that 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene) 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 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene)?
The CAS number of 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene) is 56573-66-1.
What is the molecular formula of 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene)?
The molecular formula of 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene) is C18H18S2.
What is the molecular weight of 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene)?
The molecular weight of 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene) is 298.08 g/mol.
Where can I buy 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene)?
You can request a quote for 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(But-2-yne-1,4-diyldisulfanediyl)bis(2-methylbenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.