CAS 98581-87-4

4-(1H-Pyrazol-1-yl)benzenethiol

Description:

4-(1H-Pyrazol-1-yl)benzenethiol, with the CAS number 98581-87-4, is an organic compound characterized by the presence of both a pyrazole and a thiol functional group. This compound features a pyrazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms, attached to a benzene ring that is further substituted with a thiol (-SH) group. The presence of the thiol group imparts notable reactivity, allowing for potential applications in various chemical reactions, including nucleophilic substitutions and metal coordination. The compound is typically a solid at room temperature and may exhibit solubility in polar organic solvents. Its unique structure makes it of interest in fields such as medicinal chemistry and materials science, where it may serve as a building block for more complex molecules or as a ligand in coordination chemistry. Additionally, the compound's properties can be influenced by factors such as pH and the presence of other functional groups in a given reaction environment.

Formula: C₉H₈N₂S

InChI: InChI=1S/C9H8N2S/c12-9-4-2-8(3-5-9)11-7-1-6-10-11/h1-7,12H

InChI key: InChIKey=YHGZDSCJWMCCIK-UHFFFAOYSA-N

SMILES: SC1=CC=C(C=C1)N2C=CC=N2

Synonyms:

• 4-(Pyrazol-1-yl)thiophenol
• Benzenethiol, 4-(1H-pyrazol-1-yl)-
• 4-(1H-Pyrazol-1-yl)benzenethiol