3-((3-Fluorobenzyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine CAS 477872-68-7

Purity 97%+In StockPharmaceutical Standards
CAS No.477872-68-7
Molecular FormulaC13H11FN4S2
Molecular Weight306.38 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-((3-Fluorobenzyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine CAS 477872-68-7 chemical structure

Description

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.

3-((3-Fluorobenzyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine (CAS 477872-68-7) is a high-purity analytical reference standard with the molecular formula C13H11FN4S2 and a molecular weight of 306.38 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution, 3-((3-Fluorobenzyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 306.38 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC13H11FN4S2
Molecular Weight306.38 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 ContentF-containing
Nitrogen Atoms4
Sulfur Atoms2

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