4-((2-Hydroxy-3,5-diiodobenzylidene)amino)-3-(pyridin-2-yl)-1H-1,2,4-triazole-5(4H)-thione CAS 613248-51-4

Description

The occurrence of 4-((2-Hydroxy-3,5-diiodobenzylidene)amino)-3-(pyridin-2-yl)-1H-1,2,4-triazole-5(4H)-thione is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

4-((2-Hydroxy-3,5-diiodobenzylidene)amino)-3-(pyridin-2-yl)-1H-1,2,4-triazole-5(4H)-thione (CAS 613248-51-4), molecular formula C14H9I2N5OS and molecular weight 549.13 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 4-((2-Hydroxy-3,5-diiodobenzylidene)amino)-3-(pyridin-2-yl)-1H-1,2,4-triazole-5(4H)-thione (C14H9I2N5OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 549.13 g/mol, it falls into the moderately-high-molecular-weight range. 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

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