4-((5-Bromo-2-methoxybenzylidene)amino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione CAS 478253-93-9

Purity 97%+In StockPharmaceutical Standards
CAS No.478253-93-9
Molecular FormulaC16H12BrClN4OS
Molecular Weight423.71 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-((5-Bromo-2-methoxybenzylidene)amino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione CAS 478253-93-9 chemical structure

Description

The occurrence of 4-((5-Bromo-2-methoxybenzylidene)amino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

4-((5-Bromo-2-methoxybenzylidene)amino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478253-93-9) is a high-purity analytical reference standard with the molecular formula C16H12BrClN4OS and a molecular weight of 423.71 g/mol.

Structurally, 4-((5-Bromo-2-methoxybenzylidene)amino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione (C16H12BrClN4OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 423.71 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

As a certified reference material (CRM), 4-((5-Bromo-2-methoxybenzylidene)amino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC16H12BrClN4OS
Molecular Weight423.71 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl/Br-containing
Nitrogen Atoms4
Sulfur Atoms1

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