886496-67-9

Basic information

• Product Name: 2-(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE
• Synonyms: 2-(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE;2-(trifluoroMethyl)benzenecarbothioaMide;2-(Trifluoromethyl)benzenecarbothioamide, 2-Carbamothioylbenzotrifluoride
• CAS NO: 886496-67-9
• Molecular Formula: C₈H₆F₃NS
• Molecular Weight: 205.2
• Mol File: 886496-67-9.mol
• Article Data: 3

Chemical Properties

• Melting Point: 75-77℃
• Boiling Point: 260°C at 760 mmHg
• Flash Point: 111°C
• Appearance: /
• Density: 1.372g/cm³
• Vapor Pressure: 0.0126mmHg at 25°C
• Refractive Index: 1.547
• CAS DataBase Reference: 2-(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE(886496-67-9)
• EPA Substance Registry System: 2-(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE(886496-67-9)

Safety Data

• Hazardous Substances Data: 886496-67-9(Hazardous Substances Data)

Usage

General Description

2-(Trifluoromethyl)benzene-1-carbothioamide is a chemical compound with multiple functional groups including an aromatic ring, a trifluoromethyl group, and a carbothioamide group. The aromatic ring provides stability to the molecule, the trifluoromethyl group is highly reactive and often used in medicinal compound development, while the carbothioamide group comprises of a carbonyl and a thioamide, contributing to the overall polar nature of the molecule. This chemical is typically utilized in the chemical and pharmaceutical industry, often serving as an intermediate or reagent in various organic syntheses. Exact properties such as melting and boiling points can vary and depends on factors like purity and environmental conditions.

InChI:InChI=1/C8H6F3NS/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)

Upstream product

• 447-60-9 2-(trifluoromethyl)benzonitrile 

Downstream Products

• 929693-64-1 ethyl 4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate 
• 929693-65-2 4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid 
• 929693-74-3 ethyl 2-methyl-2-[(4-{[({4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)amino]methyl}phenyl)oxy]propanoate 
• 1334212-41-7 3,5-bis(2-(trifluoromethyl)phenyl)-1,2,4-thiadiazole 
• 1415718-76-1 C₁₆H₁₀F₃NS 

Relevant articles and documents

Optimization, Structure-Activity Relationship, and Mode of Action of Nortopsentin Analogues Containing Thiazole and Oxazole Moieties

Plant diseases seriously endanger plant health, and it is very difficult to control them. A series of nortopsentin analogues were designed, synthesized, and evaluated for their antiviral activities and fungicidal activities. Most of these compounds displayed higher antiviral activities than ribavirin. Compounds 1d, 1e, and 12a, with excellent antiviral activities, emerged as novel antiviral lead compounds, among which 1e was selected for further antiviral mechanism research. The mechanism research results indicated that these compounds may play an antiviral role by aggregating viral particles to prevent their movement in plants. Further fungicidal activity tests revealed that nortopsentin analogues displayed broad-spectrum fungicidal activities. Compounds 2p and 2f displayed higher antifungal activities against Alternaria solani than the commercial fungicides carbendazim and chlorothalonil. Current research has laid a foundation for the application of nortopsentin analogues in plant protection.

Substituted 2-[(4-aminomethyl)phenoxy]-2-methylpropionic acid PPARα agonists. 1. Discovery of a novel series of potent HDLc raising agents

The peroxisome proliferator activated receptors PPARα, PPARγ, and PPARδ are ligand-activated transcription factors that play a key role in lipid homeostasis. The fibrates raise circulating levels of high-density lipoprotein cholesterol and lower levels of triglycerides in part through their activity as PPARα agonists; however, the low potency and restricted selectivity of the fibrates may limit their efficacy, and it would be desirable to develop more potent and selective PPARα agonists. Modification of the selective PPARδ agonist 1 (GW501516) so as to incorporate the 2-aryl-2-methylpropionic acid group of the fibrates led to a marked shift in potency and selectivity toward PPARα agonism. Optimization of the series gave 25a, which shows EC50 = 4 nM on PPARα and at least 500-fold selectivity versus PPARγ and PPARγ. Compound 25a (GW590735) has been progressed to clinical trials for the treatment of diseases of lipid imbalance.