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
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) |
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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