3-Chloro-4'-(methylthio)-1,1'-biphenyl
TL;DR: 3-Chloro-4'-(methylthio)-1,1'-biphenyl (CAS 844856-58-2) is a chemical compound with molecular formula C13H11ClS and molecular weight 234.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(4-methylsulfanylphenyl)benzene
Also Known As: 3-Chloro-4'-(methylthio)-1,1'-biphenyl, 3-CHLORO-4'-METHYLTHIOBIPHENYL, 1,1'-Biphenyl, 3-chloro-4'-(methylthio)-, (3'-chloro-[1,1'-biphenyl]-4-yl)(methyl)sulfane, 1,1-Biphenyl, 3-chloro-4-(methylthio)-
| Molecular Formula | C13H11ClS |
|---|---|
| Molecular Weight | 234.03 g/mol |
| LogP | 4.7289 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.027 |
| Heavy Atoms | 15 |
| Complexity | 448.34805 |
Chemical Identifiers
| CAS Number | 844856-58-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2=CC(=CC=C2)Cl |
Product Overview
3-Chloro-4'-(methylthio)-1,1'-biphenyl (CAS 844856-58-2), with molecular formula C13H11ClS and molecular weight 234.03 g/mol. IUPAC: 1-chloro-3-(4-methylsulfanylphenyl)benzene.
Chemical Property Profile of 3-Chloro-4'-(methylthio)-1,1'-biphenyl
Property Insights of 3-Chloro-4'-(methylthio)-1,1'-biphenyl
The XLogP value of 4.7289 indicates that 3-Chloro-4'-(methylthio)-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chloro-4'-(methylthio)-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4'-(methylthio)-1,1'-biphenyl has 0 hydrogen bond donor(s) and 1 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 3-Chloro-4'-(methylthio)-1,1'-biphenyl?
The CAS number of 3-Chloro-4'-(methylthio)-1,1'-biphenyl is 844856-58-2.
What is the molecular formula of 3-Chloro-4'-(methylthio)-1,1'-biphenyl?
The molecular formula of 3-Chloro-4'-(methylthio)-1,1'-biphenyl is C13H11ClS.
What is the molecular weight of 3-Chloro-4'-(methylthio)-1,1'-biphenyl?
The molecular weight of 3-Chloro-4'-(methylthio)-1,1'-biphenyl is 234.03 g/mol.
Where can I buy 3-Chloro-4'-(methylthio)-1,1'-biphenyl?
You can request a quote for 3-Chloro-4'-(methylthio)-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4'-(methylthio)-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4'-(methylthio)-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.