3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(3-pyridinyl)-


Chemical Name: 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(3-pyridinyl)-
CAS Number: 32362-88-2
Product Number: AG003M4T(AGN-PC-0JVDJ9)
Synonyms:
MDL No:
Molecular Formula: C7H6N4S
Molecular Weight: 178.2143

Identification/Properties


Computed Properties
Molecular Weight:
178.213g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
178.031g/mol
Monoisotopic Mass:
178.031g/mol
Topological Polar Surface Area:
81.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
225
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol, also known as $name$, is a versatile compound that finds wide applications in chemical synthesis. Its unique structure and properties make it a valuable building block in the development of various organic compounds and materials.In chemical synthesis, $name$ serves as a key reagent for the formation of complex molecules due to its ability to act as both a nucleophile and a ligand. Its thiol group allows it to participate in thiol-ene and thiol-alkyne click reactions, enabling the rapid and efficient construction of molecular frameworks. Additionally, the presence of the pyridyl group enhances the compound's coordination capabilities, making it a useful ligand in transition metal-catalyzed reactions.Moreover, the 1,2,4-triazole moiety in $name$ confers unique electronic and steric properties, further expanding its utility in diverse synthetic transformations. From cross-coupling reactions to metal complexation and beyond, the versatility of 5-(3-Pyridyl)-4H-1,2,4-triazole-3-thiol makes it an indispensable tool for chemists seeking to design novel molecules and materials with tailored properties and functions.