4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile
TL;DR: 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile (CAS 608491-88-9) is a chemical compound with molecular formula C14H9F3N2S and molecular weight 294.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile, J2.578.542H, 6-(4-methylphenyl)-2-sulfanylidene-4-(trifluoromethyl)-3H-py, 6-(4-methylphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 6-(4-methylphenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C14H9F3N2S |
|---|---|
| Molecular Weight | 294.04 g/mol |
| LogP | 4.61009 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.04385 |
| Heavy Atoms | 20 |
| Complexity | 736.98505 |
Chemical Identifiers
| CAS Number | 608491-88-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C(F)(F)F |
Product Overview
4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile (CAS 608491-88-9), with molecular formula C14H9F3N2S and molecular weight 294.04 g/mol. IUPAC: 6-(4-methylphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile
Property Insights of 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile
The XLogP value of 4.61009 indicates that 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-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, 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-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 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile?
The CAS number of 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile is 608491-88-9.
What is the molecular formula of 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile?
The molecular formula of 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile is C14H9F3N2S.
What is the molecular weight of 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile?
The molecular weight of 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile is 294.04 g/mol.
Where can I buy 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile?
You can request a quote for 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)-1,2-dihydro-2-thioxo-6-p-tolylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.