6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
TL;DR: 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 489406-12-4) is a chemical compound with molecular formula C11H11F3N2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: AM-807/41128597, 6-tert-butyl-2-sulfanyl-4-(trifluoromethyl)nicotinonitrile, 6-tert-butyl-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile, 6-(tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-(tert-butyl)-2-thioxo-4-(trifluoromethyl)hydropyridine-3-carbonitrile
| Molecular Formula | C11H11F3N2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 3.93217 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.0595 |
| Heavy Atoms | 17 |
| Complexity | 529.60846 |
Chemical Identifiers
| CAS Number | 489406-12-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=S)N1)C#N)C(F)(F)F |
Product Overview
6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 489406-12-4), with molecular formula C11H11F3N2S and molecular weight 260.06 g/mol. IUPAC: 6-tert-butyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Property Insights of 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
The XLogP value of 3.93217 indicates that 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 2 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 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The CAS number of 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile is 489406-12-4.
What is the molecular formula of 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular formula of 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile is C11H11F3N2S.
What is the molecular weight of 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular weight of 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile is 260.06 g/mol.
Where can I buy 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
You can request a quote for 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(Tert-butyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.