4-Allyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol CAS 847503-25-7

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-Allyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol.

4-Allyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 847503-25-7), molecular formula C20H16N4S and molecular weight 344.43 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 4-Allyl-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazole-3-thiol (C20H16N4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 344.43 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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

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