CAS 1006334-11-7

3-Methyl-1H-pyrazole-1-propanethioamide

Description:

3-Methyl-1H-pyrazole-1-propanethioamide is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a methyl group at the 3-position of the pyrazole ring and a propanethioamide functional group, which includes a thiol (sulfur-containing) moiety. The presence of the thioamide group suggests potential reactivity in various chemical reactions, particularly in nucleophilic substitutions and coordination chemistry. The compound is likely to exhibit moderate polarity due to the presence of both hydrophobic (methyl and propyl groups) and polar (thioamide) functional groups. It may also display biological activity, as many pyrazole derivatives are known for their pharmacological properties. The CAS number 1006334-11-7 uniquely identifies this substance in chemical databases, facilitating its study and application in research and industry. Overall, 3-Methyl-1H-pyrazole-1-propanethioamide is a compound of interest in organic synthesis and potentially in medicinal chemistry.

Formula: C₇H₁₁N₃S

InChI: InChI=1S/C7H11N3S/c1-6-2-4-10(9-6)5-3-7(8)11/h2,4H,3,5H2,1H3,(H2,8,11)

InChI key: InChIKey=NQAXHRIIWKCSRV-UHFFFAOYSA-N

SMILES: C(CC(N)=S)N1N=C(C)C=C1

Synonyms:

• 1H-Pyrazole-1-propanethioamide, 3-methyl-
• 3-Methyl-1H-pyrazole-1-propanethioamide