90842-92-5

Basic information

• Product Name: 4-ALLYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
• Synonyms: RARECHEM BG FB 0066;4-ALLYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL;AKOS BBS-00003446;CHEMBRDG-BB 5739688;BUTTPARK 59\40-22;Albb-003358;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-propenyl)-5-(4-pyridinyl)-;4-allyl-5-(4-pyridyl)-2H-1,2,4-triazole-3-thione
• CAS NO: 90842-92-5
• Molecular Formula: C₁₀H₁₀N₄S
• Molecular Weight: 218.28
• Mol File: 90842-92-5.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 324.7°C at 760 mmHg
• Flash Point: 150.2°C
• Appearance: /
• Density: 1.28g/cm³
• Vapor Pressure: 0.000241mmHg at 25°C
• Refractive Index: 1.677
• CAS DataBase Reference: 4-ALLYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-ALLYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL(90842-92-5)
• EPA Substance Registry System: 4-ALLYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL(90842-92-5)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 90842-92-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H10N4S/c1-2-7-14-9(12-13-10(14)15)8-3-5-11-6-4-8/h2-6H,1,7H2,(H,13,15)

Upstream product

• 15886-23-4 4-allyl-1-(pyridine-4-yl-carbonyl)-thiosemicarbazide 
• 54-85-3 isoniazid 
• 109-57-9 Allylthiourea 
• 2459-09-8 4-pyridinecarboxylic acid, methyl ester 
• 57-06-7 N-allyl isothiocyanate 

Downstream Products

• 1227401-93-5 (S)-2-amino-3-(3-(4-pyridyl)-4-allyl-5-thio-1,2,4-triazol-1-yl)propionic acid 
• 96293-17-3 (S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide 
• 1607015-94-0 2-(4-allyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-(3-methyl-3-phenylcyclobutyl)ethanone 
• 578760-61-9 C₂₁H₂₃N₅OS 

Relevant articles and documents

A first-in-class anticancer dual HDAC2/FAK inhibitors bearing hydroxamates/benzamides capped by pyridinyl-1,2,4-triazoles

Novel 5-pyridinyl-1,2,4-triazoles were designed as dual inhibitors of histone deacetylase 2 (HDAC2) and focal adhesion kinase (FAK). Compounds 5d, 6a, 7c, and 11c were determined as potential inhibitors of both HDAC2 (IC50 = 0.09–1.40 μM) and F

Synthesis and Intramolecular Heterocyclization of Selected Isonicotinic Acid Thiocarbazides

The reaction of isonicotinic acid hydrazide with ethyl-, allyl-, and cinnamoyl isothiocyanates has afforded the corresponding alkylthiosemicarbazides and the products of their intramolecular heterocyclization, 1,2,4-triazoles.

Narrow SAR in odorant sensing Orco receptor agonists

The systematic exploration of a series of triazole-based agonists of the cation channel insect odorant receptor is reported. The structure-activity relationships of independent sections of the molecules are examined. Very small changes to the compound structure were found to exert a large impact on compound activity. Optimal substitutions were combined using a 'mix-and-match' strategy to produce best-in-class compounds that are capable of potently agonizing odorant receptor activity and may form the basis for the identification of a new mode of insect behavior modification.