CAS 1004193-34-3

1-[(2,6-Dichlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole

Description:

1-[(2,6-Dichlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole is a chemical compound characterized by its unique structure, which includes a pyrazole ring and an isothiocyanate functional group. The presence of the 2,6-dichlorophenyl moiety contributes to its potential biological activity and lipophilicity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, while its solubility in water is generally low due to its hydrophobic characteristics. The isothiocyanate group is known for its reactivity, particularly in nucleophilic substitution reactions, and can participate in various chemical transformations. Additionally, compounds containing isothiocyanate groups are often studied for their potential pharmacological properties, including anticancer and antimicrobial activities. Safety data should be consulted, as isothiocyanates can be irritants and may pose health risks upon exposure. Overall, this compound's structural features suggest it may have applications in medicinal chemistry and agrochemicals, warranting further investigation into its properties and potential uses.

Formula: C₁₁H₇Cl₂N₃S

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

InChI key: InChIKey=BNMNFTYKAMTEBJ-UHFFFAOYSA-N

SMILES: C(C1=C(Cl)C=CC=C1Cl)N2N=C(N=C=S)C=C2

Synonyms:

• 1H-Pyrazole, 1-[(2,6-dichlorophenyl)methyl]-3-isothiocyanato-
• 1-[(2,6-Dichlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole