3-((4-Fluorobenzyl)thio)-5-(furan-2-yl)-4-methyl-4H-1,2,4-triazole CAS 498550-90-6

Purity 97%+In StockPharmaceutical Standards
CAS No.498550-90-6
Molecular FormulaC14H12FN3OS
Molecular Weight289.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-((4-Fluorobenzyl)thio)-5-(furan-2-yl)-4-methyl-4H-1,2,4-triazole CAS 498550-90-6 chemical structure

Description

The occurrence of 3-((4-Fluorobenzyl)thio)-5-(furan-2-yl)-4-methyl-4H-1,2,4-triazole is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-((4-Fluorobenzyl)thio)-5-(furan-2-yl)-4-methyl-4H-1,2,4-triazole (CAS 498550-90-6) is a high-purity analytical reference standard with the molecular formula C14H12FN3OS and a molecular weight of 289.33 g/mol.

Based on its molecular formula C14H12FN3OS, 3-((4-Fluorobenzyl)thio)-5-(furan-2-yl)-4-methyl-4H-1,2,4-triazole contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 289.33 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC14H12FN3OS
Molecular Weight289.33 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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