187795-50-2

Basic information

• Product Name: 4-ALLYL-5-THIEN-2-YL-4H-1,2,4-TRIAZOLE-3-THIOL
• Synonyms: 4-ALLYL-5-THIEN-2-YL-4H-1,2,4-TRIAZOLE-3-THIOL;AKOS BBS-00003488;ART-CHEM-BB B015775;BUTTPARK 136\43-08;CHEMBRDG-BB 3015775;Albb-003220;4-allyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE);4-allyl-5-(2-thienyl)-2H-1,2,4-triazole-3-thione
• CAS NO: 187795-50-2
• Molecular Formula: C9H9N3S2
• Molecular Weight: 223.32
• Mol File: 187795-50-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 309.8°C at 760 mmHg
• Flash Point: 141.2°C
• Appearance: /
• Density: 1.37g/cm³
• Vapor Pressure: 0.000625mmHg at 25°C
• Refractive Index: 1.713
• PKA: 7.94±0.20(Predicted)
• CAS DataBase Reference: 4-ALLYL-5-THIEN-2-YL-4H-1,2,4-TRIAZOLE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-ALLYL-5-THIEN-2-YL-4H-1,2,4-TRIAZOLE-3-THIOL(187795-50-2)
• EPA Substance Registry System: 4-ALLYL-5-THIEN-2-YL-4H-1,2,4-TRIAZOLE-3-THIOL(187795-50-2)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 187795-50-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H9N3S2/c1-2-5-12-8(10-11-9(12)13)7-4-3-6-14-7/h2-4,6H,1,5H2,(H,11,13)

Upstream product

• 2361-27-5 2-thienylhydrazide 

Downstream Products

• 1442122-50-0 4-allyl-2-[(4-methylpiperidin-1-yl)methyl]-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 
• 1442122-51-1 4-allyl-2-[(4-phenylpiperazin-1-yl)methyl]-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 

Relevant articles and documents

Synthesis and biological activities of some novel aminomethyl derivatives of 4-substituted-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thiones

A novel series of compounds were synthesized by cyclic condensation reaction of substituted isothiocyanate (2a-c) with 2-thiophenecarboxylic acid hydrazide (1) in the presence of ethyl alcohol, to obtain intermediate thiosemicarbazides (3a-c), which were further treated with sodium hydroxide in the presence of ethanol to obtain triazole derivatives (4a-c). The latter were refluxed with substituted secondary amines and formaldehyde for 6-10 h to afford Mannich bases (5a-k). The synthesized compounds were characterized on the basis of their spectral (IR, 13C and 1H NMR) data and evaluated for biological activities. Some of the compounds were found to exhibit significant antimicrobial and antioxidant activity.