1H-1,2,4-Triazole-3-thiol (3-Mercapto-1,2,4-triazole, CAS 3179-31-5) is a heterocyclic compound featuring a five-membered 1,2,4-triazole ring with a thiol (mercapto) substituent at the 3-position. The molecule exists in tautomeric equilibrium between the thiol (-SH) and thione (=S) forms, with the thione tautomer (1,2-dihydro-3H-1,2,4-triazole-3-thione) being the predominant form in the solid state.
1H-1,2,4-Triazole-3-thiol is a versatile heterocyclic building block widely used in pharmaceutical synthesis, agrochemical development, and coordination chemistry. The triazole-thiol scaffold of 1H-1,2,4-Triazole-3-thiol is a privileged structure in medicinal chemistry, providing a rigid, planar heterocyclic core with hydrogen bond donor and acceptor capabilities essential for biological activity . 1H-1,2,4-Triazole-3-thiol has been used as a key intermediate in the synthesis of various pharmaceuticals, and also finds applications in the preparation of fluorine-containing cleaning liquid compositions . The thiol functionality of 1H-1,2,4-Triazole-3-thiol enables coordination to metal ions, making it valuable in materials science and catalysis research.
Product Parameters
Parameter
Specification
Product Name
1H-1,2,4-Triazole-3-thiol
CAS Number
3179-31-5
Molecular Formula
C₂H₃N₃S
Molecular Weight
101.13 g/mol
Appearance
White solid
Melting Point
217-220 °C
Boiling Point
162.8 °C at 760 mmHg
Density
1.73 g/cm³
Solubility
Very soluble in water
pKa
9.24
Storage Condition
Room temperature, dry, well-ventilated area
Application
1H-1,2,4-Triazole-3-thiol is a white or light yellow crystalline powdery substance, which can be used as a pharmaceutical intermediate, photographic developer, anti-rust additive, etc.
Synthetic Route
1. Into a 100 mL reaction flask, formic acid (24.2 g, 0.52 mol), water (25 mL) and thiosemicarbazide (20 g, 0.22 mol) were added sequentially. The mixture was heated to 105°C and the reaction was maintained for 30 minutes.
2. After the reaction is completed, slowly cool the reaction solution to room temperature, then place it in an environment of -10℃ for slow crystallization.
3. After the crystallization is completed, the solid product is collected by filtration and dried to obtain aldehyde amine thiourea (white solid 22.3g, yield 85%
4. Add aldehyde thiosemicarbazide (12g, 0.1mol), water (130mL) and sodium carbonate (21.2g, 0.25mol) to a 250mL single-neck flask. Heat the mixture to 100°C and maintain the reaction for 4 hours.
5. After the reaction is completed, slowly cool the reaction solution to room temperature, and adjust the pH to 4-5 with dilute hydrochloric acid.
6. Place the reaction solution in an environment at -10°C, and stir slowly to promote the slow precipitation of the product.
7. Filter and collect the solid product, dry it to obtain 3-mercapto-1,2,4-triazole (white solid 5.6g, yield 55%
Why Cosperpharm?
When your pharmaceutical synthesis or agrochemical development program requires versatile triazole building blocks, Cosperpharm delivers 1H-1,2,4-Triazole-3-thiol with the purity and supply reliability that customers demand.
Purity that ensures synthetic success. 1H-1,2,4-Triazole-3-thiol is a key intermediate where impurities can compromise subsequent coupling reactions and final product purity. Our release protocol includes HPLC purity verification and identity confirmation — because your synthesis outcomes depend on the quality of this building block.
Documentation that supports your work. Every shipment includes a Certificate of Analysis (COA) with batch‑specific purity data and characterization — structured for direct insertion into your quality documentation.
Flexible supply for research through production. Cosperpharm supplies 1H-1,2,4-Triazole-3-thiol from 1g research quantities to larger batch sizes for process development and commercial synthesis.
Contact Us
From antifungal synthesis to coordination chemistry, Cosperpharm provides the versatile heterocyclic building blocks you need. Reach out to discuss your 1H-1,2,4-Triazole-3-thiol requirements today.
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