4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile
TL;DR: 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile (CAS 438218-38-3) is a chemical compound with molecular formula C11H5F3N2OS and molecular weight 270.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-yl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 4-(Furan-2-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile, 4-(2-FURYL)-2-MERCAPTO-6-(TRIFLUOROMETHYL)NICOTINONITRILE, 4-(furan-2-yl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 4-(2-furyl)-2-sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile, 4-(furan-2-yl)-2-sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C11H5F3N2OS |
|---|---|
| Molecular Weight | 270.01 g/mol |
| LogP | 3.89467 |
| Topological Polar Surface Area | 52.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.00748 |
| Heavy Atoms | 18 |
| Complexity | 665.0724 |
Chemical Identifiers
| CAS Number | 438218-38-3 |
|---|---|
| SMILES | C1=COC(=C1)C2=C(C(=S)NC(=C2)C(F)(F)F)C#N |
Product Overview
4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile (CAS 438218-38-3), with molecular formula C11H5F3N2OS and molecular weight 270.01 g/mol. IUPAC: 4-(furan-2-yl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile
Property Insights of 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile
The XLogP value of 3.89467 indicates that 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.72 Ų, 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile has 1 hydrogen bond donor(s) and 3 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-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile?
The CAS number of 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile is 438218-38-3.
What is the molecular formula of 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile?
The molecular formula of 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile is C11H5F3N2OS.
What is the molecular weight of 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile?
The molecular weight of 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile is 270.01 g/mol.
Where can I buy 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile?
You can request a quote for 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Furyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.