CAS 847503-26-8

5-(4-Butoxyphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione

Description:

5-(4-Butoxyphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its unique triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a butoxyphenyl group, contributing to its hydrophobic properties and potential for various applications in organic synthesis and pharmaceuticals. The presence of a thione functional group (–C=S) indicates that it may exhibit specific reactivity, such as acting as a nucleophile or participating in coordination chemistry. The compound's dihydro form suggests it may exist in a stable, saturated state, which can influence its physical properties, such as solubility and melting point. Additionally, the methyl group on the triazole ring can affect the compound's steric and electronic properties, potentially enhancing its biological activity. Overall, this compound may be of interest in medicinal chemistry, particularly for its potential as a scaffold in drug development or as a bioactive agent.

Formula: C₁₃H₁₇N₃OS

InChI: InChI=1S/C13H17N3OS/c1-3-4-9-17-11-7-5-10(6-8-11)12-14-15-13(18)16(12)2/h5-8H,3-4,9H2,1-2H3,(H,15,18)

InChI key: InChIKey=MOEFMACKNTZORW-UHFFFAOYSA-N

SMILES: CN1C(=NNC1=S)C2=CC=C(OCCCC)C=C2

Synonyms:

• 5-(4-Butoxyphenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 5-(4-butoxyphenyl)-2,4-dihydro-4-methyl-