CAS 1334148-25-2

3-(1H-1,2,4-Triazol-5-yl)benzenecarbothioamide

Description:

3-(1H-1,2,4-Triazol-5-yl)benzenecarbothioamide is a chemical compound characterized by the presence of a triazole ring and a thiocarbonamide functional group. The triazole moiety contributes to its potential biological activity, often associated with antifungal and antimicrobial properties. The compound features a benzene ring, which enhances its stability and hydrophobic characteristics. Its structure suggests the potential for hydrogen bonding due to the thiocarbonamide group, which may influence its solubility and reactivity. The presence of sulfur in the thiocarbonamide group can also impart unique chemical properties, such as increased nucleophilicity. This compound may be of interest in medicinal chemistry and agricultural applications, where triazole derivatives are frequently explored for their pharmacological effects. Additionally, the specific arrangement of atoms and functional groups in this compound can lead to diverse interactions with biological targets, making it a candidate for further research in drug development and chemical synthesis.

Formula: C₉H₈N₄S

InChI: InChI=1S/C9H8N4S/c10-8(14)6-2-1-3-7(4-6)9-11-5-12-13-9/h1-5H,(H2,10,14)(H,11,12,13)

InChI key: InChIKey=FDKUSLGLRLDQDC-UHFFFAOYSA-N

SMILES: C(N)(=S)C=1C=C(C=CC1)C=2NC=NN2

Synonyms:

• Benzenecarbothioamide, 3-(1H-1,2,4-triazol-5-yl)-
• 3-(1H-1,2,4-Triazol-5-yl)benzenecarbothioamide