3-((2,6-Difluorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazol-4-amine CAS 676582-30-2

Purity 97%+In StockPharmaceutical Standards
CAS No.676582-30-2
Molecular FormulaC16H14F2N4S
Molecular Weight332.37 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-((2,6-Difluorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazol-4-amine CAS 676582-30-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 332.37 g/mol gives 3-((2,6-Difluorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazol-4-amine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-((2,6-Difluorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazol-4-amine (CAS 676582-30-2) is a high-purity analytical reference standard with the molecular formula C16H14F2N4S and a molecular weight of 332.37 g/mol.

The molecular framework of 3-((2,6-Difluorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazol-4-amine (C16H14F2N4S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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

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 FormulaC16H14F2N4S
Molecular Weight332.37 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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentF-containing
Nitrogen Atoms4
Sulfur Atoms1

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