CAS 27106-11-2

4-butyl-5-thioxo-1,2,4-triazolidin-3-one

Description:

4-butyl-5-thioxo-1,2,4-triazolidin-3-one is a heterocyclic compound characterized by its triazolidinone structure, which includes a five-membered ring containing three nitrogen atoms and two carbon atoms. The presence of a butyl group contributes to its hydrophobic properties, while the thioxo group (a sulfur atom double-bonded to a carbon atom) enhances its reactivity and potential biological activity. This compound is typically synthesized through specific organic reactions involving triazole derivatives and thioketones. It may exhibit various pharmacological properties, making it of interest in medicinal chemistry. The compound's stability, solubility, and reactivity can be influenced by the substituents on the triazolidinone ring, which can affect its interactions with biological targets. As with many heterocycles, its applications may extend to agrochemicals, pharmaceuticals, or as intermediates in organic synthesis. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or reactivity.

Formula: C₆H₁₁N₃OS

InChI: InChI=1/C6H11N3OS/c1-2-3-4-9-5(10)7-8-6(9)11/h2-4H2,1H3,(H,7,10)(H,8,11)

SMILES: CCCCn1c(nnc1S)O

Synonyms:

• 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol
• 4-Butyl-5-sulfanyl-4H-1,2,4-triazol-3-ol
• 4H-1,2,4-triazol-3-ol, 4-butyl-5-mercapto-

4-Butyl-5-mercapto-4H-1,2,4-triazol-3-ol

CAS: 27106-11-2

Versatile small molecule scaffold

Formula: C₆H₁₁N₃OS

Purity: Min. 95%

Molecular weight: 173.24 g/mol

Ref: 3D-CBA10611