CAS 1004193-52-5

1-[(4-Chlorophenyl)methyl]-4-isothiocyanato-1H-pyrazole

Description:

1-[(4-Chlorophenyl)methyl]-4-isothiocyanato-1H-pyrazole, identified by its CAS number 1004193-52-5, is a chemical compound characterized by its unique structure, which includes a pyrazole ring substituted with a 4-chlorobenzyl group and an isothiocyanate functional group. This compound typically exhibits properties associated with both pyrazole derivatives and isothiocyanates, such as potential biological activity and reactivity. The presence of the isothiocyanate group suggests that it may participate in nucleophilic reactions, making it of interest in synthetic chemistry and potentially in medicinal chemistry for its bioactive properties. Additionally, the chlorophenyl moiety may influence its solubility and interaction with biological targets. Overall, this compound's characteristics make it a subject of interest for research in various fields, including agrochemicals and pharmaceuticals, where its reactivity and biological effects can be further explored.

Formula: C₁₁H₈ClN₃S

InChI: InChI=1S/C11H8ClN3S/c12-10-3-1-9(2-4-10)6-15-7-11(5-14-15)13-8-16/h1-5,7H,6H2

InChI key: InChIKey=NANPICMJAIPQIY-UHFFFAOYSA-N

SMILES: C(N1C=C(N=C=S)C=N1)C2=CC=C(Cl)C=C2

Synonyms:

• 1-[(4-Chlorophenyl)methyl]-4-isothiocyanato-1H-pyrazole
• 1H-Pyrazole, 1-[(4-chlorophenyl)methyl]-4-isothiocyanato-