CAS 1004193-36-5

1-[(3,4-Dichlorophenyl)methyl]-4-isothiocyanato-1H-pyrazole

Description:

1-[(3,4-Dichlorophenyl)methyl]-4-isothiocyanato-1H-pyrazole is a chemical compound characterized by its unique structure, which includes a pyrazole ring substituted with an isothiocyanate group and a dichlorophenylmethyl moiety. This compound typically exhibits properties associated with both pyrazole and isothiocyanate functionalities, such as potential biological activity and reactivity towards nucleophiles. The presence of the dichlorophenyl group may enhance its lipophilicity and influence its interaction with biological targets. It is often studied for its potential applications in agrochemicals, pharmaceuticals, or as a biochemical probe due to its ability to interact with various biological systems. The isothiocyanate functional group is known for its reactivity, particularly in forming thioureas and other derivatives, which can be significant in medicinal chemistry. Safety and handling precautions are essential when working with this compound, as isothiocyanates can be irritants and may pose health risks. Overall, this compound represents a class of chemicals with diverse applications and interesting reactivity profiles.

Formula: C₁₁H₇Cl₂N₃S

InChI: InChI=1S/C11H7Cl2N3S/c12-10-2-1-8(3-11(10)13)5-16-6-9(4-15-16)14-7-17/h1-4,6H,5H2

InChI key: InChIKey=SNLYDPFDLDFARQ-UHFFFAOYSA-N

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

Synonyms:

• 1H-Pyrazole, 1-[(3,4-dichlorophenyl)methyl]-4-isothiocyanato-
• 1-[(3,4-Dichlorophenyl)methyl]-4-isothiocyanato-1H-pyrazole