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HomeProduct name list3-Amino-5-mercapto-1,2,4-triazole

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

Synonym(s):3-Amino-5-mercapto-1,2,4-triazole

  • CAS NO.:16691-43-3
  • Empirical Formula: C2H4N4S
  • Molecular Weight: 116.14
  • MDL number: MFCD00005231
  • EINECS: 240-735-6
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-25 16:21:11
3-Amino-5-mercapto-1,2,4-triazole Structural

What is 3-Amino-5-mercapto-1,2,4-triazole?

Chemical properties

white to light beige crystalline powder

The Uses of 3-Amino-5-mercapto-1,2,4-triazole

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.

The Uses of 3-Amino-5-mercapto-1,2,4-triazole

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.

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.]

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

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
form  Crystalline Powder
pka 12.57±0.20(Predicted)
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)
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 for 3-Amino-5-mercapto-1,2,4-triazole

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P501:Dispose of contents/container to..…

Computed Descriptors for 3-Amino-5-mercapto-1,2,4-triazole

InChIKey WZUUZPAYWFIBDF-UHFFFAOYSA-N
SMILES N1C(N)=NC(=S)N1

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