3-((4-Bromobenzyl)thio)-5-(((4-chlorobenzyl)thio)methyl)-4-isopropyl-4H-1,2,4-triazole CAS 344268-27-5

Purity 97%+In StockPharmaceutical Standards
CAS No.344268-27-5
Molecular FormulaC20H21BrClN3S2
Molecular Weight482.89 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-((4-Bromobenzyl)thio)-5-(((4-chlorobenzyl)thio)methyl)-4-isopropyl-4H-1,2,4-triazole CAS 344268-27-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 482.89 g/mol gives 3-((4-Bromobenzyl)thio)-5-(((4-chlorobenzyl)thio)methyl)-4-isopropyl-4H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-((4-Bromobenzyl)thio)-5-(((4-chlorobenzyl)thio)methyl)-4-isopropyl-4H-1,2,4-triazole (CAS 344268-27-5), molecular formula C20H21BrClN3S2 and molecular weight 482.89 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-((4-Bromobenzyl)thio)-5-(((4-chlorobenzyl)thio)methyl)-4-isopropyl-4H-1,2,4-triazole (C20H21BrClN3S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 482.89 g/mol, it falls into the moderately-high-molecular-weight range. 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 FormulaC20H21BrClN3S2
Molecular Weight482.89 g/mol
Purity97%+
StorageStore at room temperature, 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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl/Br-containing
Nitrogen Atoms3
Sulfur Atoms2

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