246163-31-5 4-Amino-5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol CAS 246163-31-5

Purity 97%+In StockPharmaceutical Standards
CAS No.246163-31-5
Molecular FormulaC11H9F3N6S
Molecular Weight314.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

246163-31-5
4-Amino-5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol CAS 246163-31-5 chemical structure

Description

246163-31-5 4-Amino-5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol (CAS 246163-31-5) is a high-purity analytical reference standard with the molecular formula C11H9F3N6S and a molecular weight of 314.29 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution, 246163-31-5 4-Amino-5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 314.29 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC11H9F3N6S
Molecular Weight314.29 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms6
Sulfur Atoms1

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