206761-90-2

Basic information

• Product Name: 4-[4-(TRIFLUOROMETHYL)PHENYL]-3-THIOSEMICARBAZIDE
• Synonyms: 4-(TRIFLUOROMETHYL)PHENYLTHIOSEMICARBAZIDE;4-[4-(TRIFLUOROMETHYL)PHENYL]-3-THIOSEMICARBAZIDE;4-(4-TRIFLUOROMETHYLPHENYL)THIOSEMICARBAZIDE;4-(alpha,alpha,alpha-Trifluoro-p-tolyl)-3-thiosemicarbazide;4-(à,à,à-trifluoro-p-tolyl)-3-thiosemicarbazide;4-[4-(Trifluoromethyl)phenyl]-3-thiosemicarbazide 97%;4-[4-(Trifluoromethyl)phenyl]-3-thiosemicarbazide97%;4-4-(Trifluoromethyl)phenylü-3-thiosemicarbazide, 97%
• CAS NO: 206761-90-2
• Molecular Formula: C₈H₈F₃N₃S
• Molecular Weight: 235.23
• EINECS: -0
• Mol File: 206761-90-2.mol
• Article Data: 10

Chemical Properties

• Melting Point: 171-172°C (dec.)
• Boiling Point: 290.4°Cat760mmHg
• Flash Point: 129.4°C
• Appearance: /
• Density: 1.471g/cm³
• Vapor Pressure: 0.00208mmHg at 25°C
• Refractive Index: 1.607
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• BRN: 8061812
• CAS DataBase Reference: 4-[4-(TRIFLUOROMETHYL)PHENYL]-3-THIOSEMICARBAZIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[4-(TRIFLUOROMETHYL)PHENYL]-3-THIOSEMICARBAZIDE(206761-90-2)
• EPA Substance Registry System: 4-[4-(TRIFLUOROMETHYL)PHENYL]-3-THIOSEMICARBAZIDE(206761-90-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 2811
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 206761-90-2(Hazardous Substances Data)

Usage

General Description

4-[4-(Trifluoromethyl)phenyl]-3-thiosemicarbazide is a chemical compound with the molecular formula C9H8F3N3S. It is a thiosemicarbazide derivative that contains a trifluoromethyl group attached to a phenyl ring. Thiosemicarbazides are known for their wide range of biological activities, including anticancer, antimicrobial, and antiviral properties. The trifluoromethyl group in 4-[4-(Trifluoromethyl)phenyl]-3-thiosemicarbazide is known to enhance the bioactivity and metabolic stability of organic compounds. 4-[4-(TRIFLUOROMETHYL)PHENYL]-3-THIOSEMICARBAZIDE may have potential applications in medicinal chemistry and drug discovery due to its unique structure and potential bioactive properties.

InChI:InChI=1/C8H8F3N3S/c9-8(10,11)5-1-3-6(4-2-5)13-7(15)14-12/h1-4H,12H2,(H2,13,14,15)

Upstream product

• 455-14-1 4-trifluoromethylphenylamine 
• 1645-65-4 4-(trifluoromethyl)phenyl isothiocyanate 

Downstream Products

• 213479-32-4 C₁₄H₁₄F₃N₃O₂ 
• 1355959-72-6 C₁₂H₁₀F₃N₃O₂ 
• 872457-85-7 3-methyl-4-(4-trifluoromethylphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione 
• 213479-32-4 5-Methyl-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carboxylic acid ethyl ester 

Relevant articles and documents

PH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones

Gated ion transport across biological membranes is an intrinsic process regulated by protein channels. Synthetic anion carriers (anionophores) have potential applications in biological research; however, previously reported examples are mostly nonspecific

Synthesis, molecular modeling and antiviral activity of novel 5-fluoro-1H-indole-2,3-dione 3-thiosemicarbazones

In this work, novel 5-fluoro-1-methyl/ethyl-1H-indole-2,3-dione 3-[4-(substituted phenyl)-thiosemicarbazones] 6a-n and 7a-n were synthesized. The antiviral effects of the compounds were tested against HSV-1 (KOS), HSV-2 (G) HSV-1 TK- KOS ACVr and VV in HEL cell cultures using acyclovir and ganciclovir as standards, and Coxsackie B4 virus in Vero cell cultures using ribavirin and mycophenolic acid as standards. R2 ethyl substituted 7 derivatives were found effective against viruses tested. R1 4-CF3 substituted 7d, R1 4-OCH3 substituted 7 g and R1 3-Cl substituted 7 l showed activity against HSV-1 (KOS), HSV-2 (G) HSV-1 TK- KOS ACVr and VV. Whereas only R1 4-Br substituted 7n has selective activity against coxsackie B4 virus. Molecular modeling studies of 7d and 7l were performed to determine binding side on HSV-1 glycoprotein B and D, HSV-2 glycoprotein B structures.

Design, synthesis, and biological evaluation of novel 1,3,4-thiadiazole derivatives as potential antitumor agents against chronic myelogenous leukemia: Striking effect of nitrothiazole moiety

In an attempt to develop potent antitumor agents, new 1,3,4-thiadiazole derivatives were synthesized and evaluated for their cytotoxic effects on multiple human cancer cell lines, including the K562 chronic myelogenous leukemia cell line that expresses the Bcr-Abl tyrosine kinase. N-(5-Nitrothiazol-2-yl)-2-((5-((4-(trifluoromethyl)phenyl)amino)-1,3,4-thiadiazol-2-yl)thio)acetamide (2) inhibited the Abl protein kinase with an IC50 value of 7.4 μM and showed selective activity against the Bcr-Abl positive K562 cell line. Furthermore, a Bcr-Abl-compound 2 molecular modelling simulation highlighted the anchoring role of the nitrothiazole moiety in bonding and hydrophobic interaction with the key amino acid residues. These results provide promising starting points for further development of novel kinase inhibitors.