3-((3-Bromobenzyl)thio)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole CAS 329699-46-9

Purity 97%+In StockPharmaceutical Standards
CAS No.329699-46-9
Molecular FormulaC14H12BrN3S2
Molecular Weight366.30 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-((3-Bromobenzyl)thio)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole CAS 329699-46-9 chemical structure

Description

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.

3-((3-Bromobenzyl)thio)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 329699-46-9) is a high-purity analytical reference standard with the molecular formula C14H12BrN3S2 and a molecular weight of 366.30 g/mol.

Based on its molecular formula C14H12BrN3S2, 3-((3-Bromobenzyl)thio)-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 366.30 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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.

Physical & Chemical Properties

Molecular FormulaC14H12BrN3S2
Molecular Weight366.30 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
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 ContentBr-containing
Nitrogen Atoms3
Sulfur Atoms2

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