6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile
TL;DR: 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile (CAS 893752-77-7) is a chemical compound with molecular formula C12H13F3N2S and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: VU0608982-1, 6-(tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile, AB01332381-02, F3290-0209, 6-tert-butyl-2-(methylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C12H13F3N2S |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 3.99148 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.07516 |
| Heavy Atoms | 18 |
| Complexity | 495.75983 |
Chemical Identifiers
| CAS Number | 893752-77-7 |
|---|---|
| SMILES | CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SC |
Product Overview
6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile (CAS 893752-77-7), with molecular formula C12H13F3N2S and molecular weight 274.08 g/mol. IUPAC: 6-tert-butyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile
Property Insights of 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 3.99148 indicates that 6-(Tert-butyl)-2-(methylthio)-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, 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile has 0 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 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile is 893752-77-7.
What is the molecular formula of 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile is C12H13F3N2S.
What is the molecular weight of 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile is 274.08 g/mol.
Where can I buy 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 6-(Tert-butyl)-2-(methylthio)-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 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(Tert-butyl)-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.