3-Amino-5-mercapto-1,2,4-triazole Chemical Properties

Melting point:

>300 °C(lit.)

Boiling point:

201.2±23.0 °C(Predicted)

Density 

1.420 (estimate)

refractive index 

1.5605 (estimate)

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

water: soluble25mg/mL, clear, faintly yellow to yellow

pka

12.57±0.20(Predicted)

form 

Crystalline Powder

color 

White to light beige

Water Solubility 

SOLUBLE IN HOT WATER

BRN 

112404

InChI

InChI=1S/C2H4N4S/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)

InChIKey

WZUUZPAYWFIBDF-UHFFFAOYSA-N

SMILES

N1C(N)=NC(=S)N1

LogP

0.347 (est)

CAS DataBase Reference

16691-43-3(CAS DataBase Reference)

EPA Substance Registry System

3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro- (16691-43-3)

Safety Information

Hazard Codes 

Xi,Xn,F

Risk Statements 

36/37/38-22-11-20/21/22

Safety Statements 

26-36-36/37/39-16

WGK Germany 

3

RTECS 

XZ5357500

F 

13

TSCA 

Yes

HS Code 

29339990

MSDS

• Language:English Provider:3-Amino-1,2,4-triazole-5-thiol
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

3-Amino-5-mercapto-1,2,4-triazole Usage And Synthesis

Uses

3-Amino-5-mercapto-1,2,4-triazole is used as a corrosion inhibitor. It can also be used as a reactant in the synthesis of triazole derivatives.

Chemical Properties

white to light beige crystalline powder

Uses

3-Amino-1,2,4-triazole-5-thiol was used to study the inhibition of corrosion of iron in 3.5% NaCl solutions by low concentrations of ATT and 1,1′-thiocarbonyldiimidazole. It was used to prepare surface-enhanced Raman scattering based pH nano- and microsensor using silver nanoparticles.

Uses

3-Amino-5-mercapto-1,2,4-triazole is used as a corrosion inhibitor. It can also be used as a reactant in the synthesis of triazole derivatives.

Synthesis Reference(s)

Journal of Heterocyclic Chemistry, 26, p. 355, 1989 DOI: 10.1002/jhet.5570260216

General Description

3-Amino-1,2,4-triazole-5-thiol inhibits corrosion of copper in aerated acidic chloride pickling solutions.

Purification Methods

Recrystallise the triazole from H2O and dry it in vacuo. The acetyl derivative has m 325o(dec) after recrystallisation from H2O. [Beilstein 26 III/IV 1351.] It has also been recrystallised from EtOH/H2O (3:1, 1g in 50 mL, 50% recovery), m 300-302o (dec subject to heating rate), ( max 263nm, log 4.12). The S-benzyl derivative, when crystallised from *C6H6/EtOH (20:1), or CHCl3/Et2O has m 109-111o [Godfrey & Kruzer J Chem Soc 3437 1960, Beilstein 26 III/IV 1351.]

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