![2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile structure](/static/products/5148/514816-28-5.webp)
2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
TL;DR: 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile (CAS 514816-28-5) is a chemical compound with molecular formula C15H10ClF3N2S and molecular weight 342.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile, 2-[(4-chlorobenzyl)sulfanyl]-4-methyl-6-(trifluoromethyl)nicotinonitrile, 2-[(4-CHLOROBENZYL)SULFANYL]-4-METHYL-6-(TRIFLUOROMETHYL)-3-PYRIDYL CYANIDE, 2-[(4-chlorobenzyl)sulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C15H10ClF3N2S |
|---|---|
| Molecular Weight | 342.02 g/mol |
| LogP | 5.2262 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.02054 |
| Heavy Atoms | 22 |
| Complexity | 721.293 |
Chemical Identifiers
| CAS Number | 514816-28-5 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)Cl)C(F)(F)F |
Product Overview
2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile (CAS 514816-28-5), with molecular formula C15H10ClF3N2S and molecular weight 342.02 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
Property Insights of 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
The XLogP value of 5.2262 indicates that 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(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 36.68 Ų, 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The CAS number of 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile is 514816-28-5.
What is the molecular formula of 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular formula of 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile is C15H10ClF3N2S.
What is the molecular weight of 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular weight of 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile is 342.02 g/mol.
Where can I buy 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
You can request a quote for 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(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 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.