4-Methylthio-3'-trifluoromethylbiphenyl
TL;DR: 4-Methylthio-3'-trifluoromethylbiphenyl (CAS 844856-50-4) is a chemical compound with molecular formula C14H11F3S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]benzene
Also Known As: 4-Methylthio-3'-trifluoromethylbiphenyl, Methyl(3'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)sulfane, 1-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]benzene, 1-(4-methylsulfanylphenyl)-3-(trifluoromethyl)benzene, 4a(2)-(Methylthio)-3-(trifluoromethyl)-1,1a(2)-biphenyl
| Molecular Formula | C14H11F3S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 5.0943 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.05334 |
| Heavy Atoms | 18 |
| Complexity | 529.4805 |
Chemical Identifiers
| CAS Number | 844856-50-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
4-Methylthio-3'-trifluoromethylbiphenyl (CAS 844856-50-4), with molecular formula C14H11F3S and molecular weight 268.05 g/mol. IUPAC: 1-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]benzene.
Chemical Property Profile of 4-Methylthio-3'-trifluoromethylbiphenyl
Property Insights of 4-Methylthio-3'-trifluoromethylbiphenyl
The XLogP value of 5.0943 indicates that 4-Methylthio-3'-trifluoromethylbiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Methylthio-3'-trifluoromethylbiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylthio-3'-trifluoromethylbiphenyl has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methylthio-3'-trifluoromethylbiphenyl?
The CAS number of 4-Methylthio-3'-trifluoromethylbiphenyl is 844856-50-4.
What is the molecular formula of 4-Methylthio-3'-trifluoromethylbiphenyl?
The molecular formula of 4-Methylthio-3'-trifluoromethylbiphenyl is C14H11F3S.
What is the molecular weight of 4-Methylthio-3'-trifluoromethylbiphenyl?
The molecular weight of 4-Methylthio-3'-trifluoromethylbiphenyl is 268.05 g/mol.
Where can I buy 4-Methylthio-3'-trifluoromethylbiphenyl?
You can request a quote for 4-Methylthio-3'-trifluoromethylbiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylthio-3'-trifluoromethylbiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylthio-3'-trifluoromethylbiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.