N-((4-Allyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide CAS 1024135-26-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1024135-26-9
Molecular FormulaC13H13FN4OS
Molecular Weight292.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-((4-Allyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide CAS 1024135-26-9 chemical structure

Description

The molecular framework of N-((4-Allyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide (C13H13FN4OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

N-((4-Allyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide (CAS 1024135-26-9) is a high-purity analytical reference standard with the molecular formula C13H13FN4OS and a molecular weight of 292.33 g/mol.

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 FormulaC13H13FN4OS
Molecular Weight292.33 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
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.)1988
Halogen ContentF-containing
Nitrogen Atoms4
Sulfur Atoms1

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