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)

pka

8.49±0.20(Predicted)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

MSDS

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

Preparation

Synthesis 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.5570130450
The Journal of Organic Chemistry, 47, p. 2757, 1982 DOI: 10.1021/jo00135a014

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