5-(((3-Chloro-4-methylphenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol CAS 333313-76-1

Description

Structurally, 5-(((3-Chloro-4-methylphenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol (C12H15ClN4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 282.79 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

5-(((3-Chloro-4-methylphenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 333313-76-1) is a high-purity analytical reference standard with the molecular formula C12H15ClN4S and a molecular weight of 282.79 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

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