CAS 93378-57-5

2,4-Dihydro-5-(4-nitrophenyl)-4-phenyl-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-5-(4-nitrophenyl)-4-phenyl-3H-1,2,4-triazole-3-thione, with CAS number 93378-57-5, is a heterocyclic compound characterized by its triazole ring structure, which contains both sulfur and nitrogen atoms. This compound typically exhibits properties associated with triazoles, such as potential biological activity, including antifungal and herbicidal effects. The presence of the nitrophenyl group suggests that it may possess electron-withdrawing characteristics, which can influence its reactivity and solubility. Additionally, the thione functional group contributes to its chemical behavior, potentially allowing for coordination with metal ions or participation in nucleophilic reactions. The compound's molecular structure may lead to interesting interactions in biological systems, making it a subject of interest in medicinal chemistry and agricultural applications. Its stability, solubility, and reactivity can vary based on environmental conditions and the presence of other chemical species. Overall, this compound represents a class of triazole derivatives that are valuable in various chemical and pharmaceutical contexts.

Formula: C₁₄H₁₀N₄O₂S

InChI: InChI=1S/C14H10N4O2S/c19-18(20)12-8-6-10(7-9-12)13-15-16-14(21)17(13)11-4-2-1-3-5-11/h1-9H,(H,16,21)

InChI key: InChIKey=VOABNYQQUDETHE-UHFFFAOYSA-N

SMILES: S=C1N(C(=NN1)C2=CC=C(N(=O)=O)C=C2)C3=CC=CC=C3

Synonyms:

• 4H-1,2,4-Triazole-3-thiol, 5-(p-nitrophenyl)-4-phenyl-
• 2,4-Dihydro-5-(4-nitrophenyl)-4-phenyl-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-nitrophenyl)-4-phenyl-

5-(4-Nitrophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol

CAS: 93378-57-5

5-(4-Nitrophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol (NPTZS) is a potent antifungal agent that contains a thiourea moiety. It has been shown to have antibacterial activity against Escherichia coli and S. aureus in vitro. NPTZS is metabolized by n-dealkylation and is not active against Mycobacterium tuberculosis or Mycobacterium avium complex. The antimycobacterial activity of NPTZS has been demonstrated in vivo with an intraperitoneal dose of 100 mg/kg.

Formula: C₁₄H₁₀N₄O₂S

Purity: Min. 95%

Molecular weight: 298.32 g/mol

Ref: 3D-TDA37857