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CAS 1001500-53-3

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4-Isothiocyanato-1-methyl-1H-pyrazole

Description:
4-Isothiocyanato-1-methyl-1H-pyrazole is a chemical compound characterized by the presence of an isothiocyanate functional group attached to a pyrazole ring. This compound typically exhibits a molecular structure that includes a five-membered pyrazole ring, which contributes to its potential biological activity. Isothiocyanates are known for their reactivity, particularly in nucleophilic substitution reactions, and can participate in various chemical transformations. The presence of the methyl group at the 1-position of the pyrazole ring can influence the compound's solubility and reactivity. This substance may be of interest in medicinal chemistry and agricultural applications due to its potential as a bioactive agent. Additionally, compounds with isothiocyanate groups are often studied for their roles in plant defense mechanisms and their potential anticancer properties. As with many chemical substances, safety and handling precautions should be observed, as isothiocyanates can be irritants and may pose health risks upon exposure.
Formula:C5H5N3S
InChI:InChI=1S/C5H5N3S/c1-8-3-5(2-7-8)6-4-9/h2-3H,1H3
InChI key:InChIKey=MTXQEKCAXHBISK-UHFFFAOYSA-N
SMILES:N(=C=S)C1=CN(C)N=C1
Synonyms:
  • 4-Isothiocyanato-1-methyl-1H-pyrazole
  • 1H-Pyrazole, 4-isothiocyanato-1-methyl-
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