2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile
TL;DR: 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile (CAS 620556-16-3) is a chemical compound with molecular formula C20H13F3N2S2 and molecular weight 402.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-phenylprop-2-enyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile, 2-cinnamylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-[(E)-3-phenylprop-2-enyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C20H13F3N2S2 |
|---|---|
| Molecular Weight | 402.05 g/mol |
| LogP | 6.50608 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0472 |
| Heavy Atoms | 27 |
| Complexity | 972.9517 |
Chemical Identifiers
| CAS Number | 620556-16-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N |
Product Overview
2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile (CAS 620556-16-3), with molecular formula C20H13F3N2S2 and molecular weight 402.05 g/mol. IUPAC: 2-[(E)-3-phenylprop-2-enyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile
Property Insights of 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 6.50608 indicates that 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)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, 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile is 620556-16-3.
What is the molecular formula of 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile is C20H13F3N2S2.
What is the molecular weight of 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile is 402.05 g/mol.
Where can I buy 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(cinnamylthio)-6-(thiophen-2-yl)-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.