![4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile structure](/static/products/1303/130373-85-2.webp)
4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile
TL;DR: 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile (CAS 130373-85-2) is a chemical compound with molecular formula C14H11NS and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylsulfanylphenyl)benzonitrile
Also Known As: 4-cyano-4'-methylthiobiphenyl, 4-(4-methylsulfanylphenyl)benzonitrile, 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile, 4-(4-(Methylthio)phenyl)benzonitrile, 4 -(Methylthio)biphenyl-4-carbonitrile
| Molecular Formula | C14H11NS |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 3.94718 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.06122 |
| Heavy Atoms | 16 |
| Complexity | 505.92676 |
Chemical Identifiers
| CAS Number | 130373-85-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
Product Overview
4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile (CAS 130373-85-2), with molecular formula C14H11NS and molecular weight 225.06 g/mol. IUPAC: 4-(4-methylsulfanylphenyl)benzonitrile.
Chemical Property Profile of 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile
Property Insights of 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile
The XLogP value of 3.94718 indicates that 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile has 0 hydrogen bond donor(s) and 2 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 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile?
The CAS number of 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile is 130373-85-2.
What is the molecular formula of 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile?
The molecular formula of 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile is C14H11NS.
What is the molecular weight of 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile?
The molecular weight of 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile is 225.06 g/mol.
Where can I buy 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile?
You can request a quote for 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4'-(Methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.