CAS 1001500-07-7

4-Isothiocyanato-1,3-dimethyl-1H-pyrazole

Description:

4-Isothiocyanato-1,3-dimethyl-1H-pyrazole is a chemical compound characterized by the presence of an isothiocyanate functional group attached to a pyrazole ring. The pyrazole structure consists of a five-membered ring containing two adjacent nitrogen atoms, contributing to its unique reactivity and properties. This compound is typically a solid at room temperature and may exhibit a range of colors depending on its purity and form. It is known for its potential applications in various fields, including agrochemicals and pharmaceuticals, due to its biological activity. The isothiocyanate group is particularly notable for its ability to participate in nucleophilic reactions, making it a valuable intermediate in organic synthesis. Additionally, compounds containing isothiocyanate groups are often studied for their potential anticancer properties and other health-related benefits. As with many chemical substances, handling precautions should be observed due to potential toxicity and reactivity. Overall, 4-Isothiocyanato-1,3-dimethyl-1H-pyrazole represents a significant compound in the realm of chemical research and application.

Formula: C₆H₇N₃S

InChI: InChI=1S/C6H7N3S/c1-5-6(7-4-10)3-9(2)8-5/h3H,1-2H3

InChI key: InChIKey=PJWCLLSJNGWRRB-UHFFFAOYSA-N

SMILES: N(=C=S)C=1C(C)=NN(C)C1

Synonyms:

• 4-Isothiocyanato-1,3-dimethyl-1H-pyrazole
• 1H-Pyrazole, 4-isothiocyanato-1,3-dimethyl-
• 4-Isothiocyanato-1,3-dimethylpyrazole

4-Isothiocyanato-1,3-dimethyl-1H-pyrazole

CAS: 1001500-07-7

Formula: C₆H₇N₃S

Color and Shape: Solid

Molecular weight: 153.2

Ref: 10-F025876