| Identification | Back Directory | [Name]
4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol | [CAS]
22706-11-2 | [Synonyms]
AKOS TOT-0017
ASISCHEM V00530
BUTTPARK 9\07-04
AKOS BBS-00004177
RARECHEM BG FB 0106
IFLAB-BB F0311-0776
4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl
4-AMINO-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
4-AMINO-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
4-AMINO-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
4-amino-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-phenyl- | [Molecular Formula]
C8H8N4S | [MDL Number]
MFCD00269264 | [MOL File]
22706-11-2.mol | [Molecular Weight]
192.24 |
| Chemical Properties | Back Directory | [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) | [form ]
solid | [pka]
8.49±0.20(Predicted) |
| Hazard Information | Back Directory | [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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