63314-58-9

Basic information

• Product Name: 4-(4-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
• Synonyms: 5-phenyl-4-p-tolyl-4H-1,2,4-triazole-3-thiol
• CAS NO: 63314-58-9
• Molecular Formula: C₁₅H₁₃N₃S
• Molecular Weight: 267.35
• Mol File: 63314-58-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 397.2°C at 760 mmHg
• Flash Point: 194°C
• Appearance: /
• Density: 1.23g/cm³
• Vapor Pressure: 1.61E-06mmHg at 25°C
• Refractive Index: 1.673
• CAS DataBase Reference: 4-(4-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL(63314-58-9)
• EPA Substance Registry System: 4-(4-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL(63314-58-9)

Safety Data

• Hazardous Substances Data: 63314-58-9(Hazardous Substances Data)

Usage

General Description

4-(4-Methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol is a chemical compound that belongs to the triazole class of compounds. It has a 1,2,4-triazole ring system, with a thiol group attached to the third carbon atom. The compound is characterized by its aromatic rings, including a methyl-substituted phenyl group and a phenyl group. This chemical has potential applications in medicinal chemistry, as it may possess biological activity due to its structural features. Its synthesis and properties make it a promising candidate for further investigation in drug discovery and development.

InChI:InChI=1/C15H13N3S/c1-11-7-9-13(10-8-11)18-14(16-17-15(18)19)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19)

Upstream product

• 38240-76-5 4-(4-methylphenyl)-1-benzoyl-thiosemicarbazide 
• 100-52-7 benzaldehyde 
• 13278-67-6 4-(4-methylphenyl)-3-thiosemicarbazide 
• 613-94-5 benzoic acid hydrazide 
• 622-59-3 1-isothiocyanato-4-methylbenzene 

Downstream Products

• 14331-67-0 4-(4-methylphenyl)-3-phenyl-4H-1,2,4-triazole 

Relevant articles and documents

Synthesis of 1,2,4-Triazoles via Oxidative Heterocyclization: Selective C-N Bond over C-S Bond Formation

The higher propensity of C-N over C-S bond forming ability was demonstrated, through formal C-H functionalization during the construction of 4,5-disubstituted 1,2,4-triazole-3-thiones from arylidenearylthiosemicarbazides catalyzed by Cu(II). However, ster

Photochemical synthesis of triazolo[3,4-b]-1,3(4H)-benzothiazines: A detailed mechanistic study on photocyclization/photodesulfurisation of triazole-3-thiones

Irradiation of 4-(2-halobenzyl)-5-substituted-1,2,4-triazole-3-thiones under base mediated (CH3CN/2 M NaOH) condition afforded triazolo[3,4-b]-1,3(4H)-benzothiazines and desulfurized triazoles. Benzophenone sensitized photolysis of triazole-3-thiones gave desulfurized triazoles exclusively. The mechanism of the photocyclization/photodesulfurization and the involvement of singlet and triplet energy levels are discussed.