![6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile structure](/static/products/4780/478050-37-2.webp)
6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile
TL;DR: 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile (CAS 478050-37-2) is a chemical compound with molecular formula C15H8F6N2S and molecular weight 362.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carbonitrile
Also Known As: Bionet1_003611, 5P-317S, 6-(trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile, 6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carbonitrile, 6-(trifluoromethyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyridine-3-carbonitrile
| Molecular Formula | C15H8F6N2S |
|---|---|
| Molecular Weight | 362.03 g/mol |
| LogP | 5.28318 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.03125 |
| Heavy Atoms | 24 |
| Complexity | 776.75446 |
Chemical Identifiers
| CAS Number | 478050-37-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CSC2=C(C=CC(=N2)C(F)(F)F)C#N |
Product Overview
6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile (CAS 478050-37-2), with molecular formula C15H8F6N2S and molecular weight 362.03 g/mol. IUPAC: 6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carbonitrile.
Chemical Property Profile of 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile
Property Insights of 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile
The XLogP value of 5.28318 indicates that 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile?
The CAS number of 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile is 478050-37-2.
What is the molecular formula of 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile?
The molecular formula of 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile is C15H8F6N2S.
What is the molecular weight of 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile?
The molecular weight of 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile is 362.03 g/mol.
Where can I buy 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile?
You can request a quote for 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(Trifluoromethyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.