![6-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile structure](/static/products/4780/478049-78-4.webp)
6-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
TL;DR: 6-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile (CAS 478049-78-4) is a chemical compound with molecular formula C15H11F3N2S and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 5N-394S, 6-methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile, 6-methyl-2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C15H11F3N2S |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 4.74012 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.0595 |
| Heavy Atoms | 21 |
| Complexity | 700.5843 |
Chemical Identifiers
| CAS Number | 478049-78-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC(=CC(=C2C#N)C(F)(F)F)C |
Product Overview
6-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile (CAS 478049-78-4), with molecular formula C15H11F3N2S and molecular weight 308.06 g/mol. IUPAC: 6-methyl-2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 6-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
Property Insights of 6-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 4.74012 indicates that 6-Methyl-2-[(4-methylphenyl)sulfanyl]-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-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-2-[(4-methylphenyl)sulfanyl]-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-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 6-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile is 478049-78-4.
What is the molecular formula of 6-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 6-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile is C15H11F3N2S.
What is the molecular weight of 6-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 6-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile is 308.06 g/mol.
Where can I buy 6-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 6-Methyl-2-[(4-methylphenyl)sulfanyl]-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-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-2-[(4-methylphenyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.