CAS 1189749-60-7

N-[4-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]thiourea

Description:

N-[4-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]thiourea is an organic compound characterized by its thiourea functional group and a triazole moiety. This compound typically exhibits properties associated with both thioureas and triazoles, such as potential biological activity, including antifungal and antimicrobial properties. The presence of the triazole ring contributes to its ability to form hydrogen bonds, enhancing its solubility in polar solvents. The phenyl group provides hydrophobic characteristics, which can influence its interaction with biological membranes. Additionally, the compound may exhibit moderate stability under standard conditions, but its reactivity can vary based on environmental factors such as pH and temperature. Its molecular structure suggests potential applications in pharmaceuticals, particularly in drug design, due to the bioactive nature of both the thiourea and triazole components. As with many organic compounds, safety and handling precautions should be observed, given the potential for toxicity or reactivity. Further studies would be necessary to fully elucidate its properties and applications in various fields.

Formula: C₁₀H₁₁N₅S

InChI: InChI=1S/C10H11N5S/c11-10(16)14-9-3-1-8(2-4-9)5-15-7-12-6-13-15/h1-4,6-7H,5H2,(H3,11,14,16)

InChI key: InChIKey=XHBQKDIYZPCXEA-UHFFFAOYSA-N

SMILES: C(C1=CC=C(NC(N)=S)C=C1)N2C=NC=N2

Synonyms:

• Thiourea, N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-
• N-[4-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]thiourea