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4-(4-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL is a chemical compound belonging to the triazole class, featuring a 1,2,4-triazole ring system with a thiol group attached to the third carbon atom. Characterized by its aromatic rings, including a methyl-substituted phenyl group and a phenyl group, 4-(4-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL holds potential for medicinal chemistry applications due to its structural features and possible biological activity.

63314-58-9

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63314-58-9 Usage

Uses

Used in Medicinal Chemistry:
4-(4-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL is used as a potential candidate in medicinal chemistry for its possible biological activity and structural features, making it a promising compound for drug discovery and development.

Check Digit Verification of cas no

The CAS Registry Mumber 63314-58-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,3,3,1 and 4 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 63314-58:
(7*6)+(6*3)+(5*3)+(4*1)+(3*4)+(2*5)+(1*8)=109
109 % 10 = 9
So 63314-58-9 is a valid CAS Registry Number.
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)

63314-58-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(4-methylphenyl)-3-phenyl-1H-1,2,4-triazole-5-thione

1.2 Other means of identification

Product number -
Other names 4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

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More Details:63314-58-9 SDS

63314-58-9Relevant academic research and scientific papers

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

Gogoi, Anupal,Guin, Srimanta,Rajamanickam, Suresh,Rout, Saroj Kumar,Patel, Bhisma K.

, p. 9016 - 9027 (2015/09/28)

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

Antimicrobial and Physicochemical Characterizations of Thiosemicarbazide and S-Triazole Derivatives

Kusmierz, Edyta,Siwek, Agata,Kosikowska, Urszula,Malm, Anna,Plech, Tomasz,Wrobel, Andrzej,Wujec, Monika

, p. 1539 - 1545 (2015/10/29)

Two series of thiosemicarbazide derivatives and three series of s-triazole derivatives have been synthesized. All of these compounds were tested for their in vitro antibacterial activity against Gram-positive and Gram-negative bacterial strains. Among tested thiosemicarbazide derivatives, the best bioactivity was detected for two 1-formylthiosemicarbazides with 3-/4-tolyl substitution (1 l, 1 m) (MICs range between 31.25 and 250 μg/mL). All tested s-triazole derivatives exhibited lower antibacterial activity than their acyclic precursors.

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

Senthilvelan,Thirumalai,Ramakrishnan

, p. 851 - 860 (2007/10/03)

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.

Photodesulfurization of 2,4-diaryl-1,2, 4-triazole-3-thiones

Senthilvelan,Ramakrishnan

, p. 269 - 272 (2007/10/03)

The photodesulfurization of 2,4-diaryl-1,2,4-triazole-3-thiones was discussed in the article. The triazole thiones were synthesized from the respective acid hydrazide and isothiocyanate. The structure of the compounds were confirmed by spectral and analytical data. It was concluded that thioenolization may facilitate the desulfurization.

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