4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol

4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol
  • CAS No.:22706-11-2

Important Notice

  1. This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
  2. This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol Basic information
Product Name:4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol
Synonyms:RARECHEM BG FB 0106;IFLAB-BB F0311-0776;BUTTPARK 9\07-04;ASISCHEM V00530;AKOS BBS-00004177;AKOS TOT-0017;4-AMINO-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE;4-AMINO-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
CAS:22706-11-2
MF:C8H8N4S
MW:192.24
EINECS:
Product Categories:Building Blocks;Heterocyclic Building Blocks;Triazoles;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks
Mol File:22706-11-2.mol
4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol Chemical Properties
Melting point 195 °C (dec.) (lit.) 211-215 °C (dec.)
Boiling point 309.4±25.0 °C(Predicted)
density 1.47±0.1 g/cm3(Predicted)
pka8.49±0.20(Predicted)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 3
MSDS Information
ProviderLanguage
SigmaAldrich English
4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol Usage And Synthesis
PreparationSynthesis of 4[amino]-5-phenyl-4H-1,2,4-triazole-3-thiol: A suspension of potassium salt dithiocarbazinate (4.44g, 0.02M), hydrazine hydrate (2ml, 0.04M) and water (80ml) was refluxed for 3 hrs. The color of the reaction mixture changed to green, hydrogen sulphide was evolved and a homogenous solution resulted. A white solid was precipitated by dilution with cold water (100ml) and acidification with concentrated hydrochloric acid. The product was filtered, washed with cold water (2×30 ml) and recrystallised from ethanol in 42 % yield. Melting point : 198 -200°C.IR (KBr cm-1): 943 (N-C-S str), 1278 (N-N-C str), 3365(N-H str), 696 (C-S str), 3082 (Ar CH str), 1446 (C-N str). NMR (ppm): 7.7 (m, 5H, Ar-H), 7.9 (s, 2H, NH2), 14.6(s, 1H, S-H).
Synthesis Reference(s)Journal of Heterocyclic Chemistry, 13, p. 925, 1976 DOI: 10.1002/jhet.5570130450The Journal of Organic Chemistry, 47, p. 2757, 1982 DOI: 10.1021/jo00135a014
4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol Preparation Products And Raw materials

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