N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(2S)-2-(dimethylamino)-3-methylbutyl]thiourea CAS 1048692-60-9

Description

The occurrence of N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(2S)-2-(dimethylamino)-3-methylbutyl]thiourea is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(2S)-2-(dimethylamino)-3-methylbutyl]thiourea (CAS 1048692-60-9), a certified reference material (molecular formula C16H21F6N3S, MW 401.41 g/mol) for analytical method development and quality control.

Structurally, N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(2S)-2-(dimethylamino)-3-methylbutyl]thiourea (C16H21F6N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 401.41 g/mol, it falls into the moderately-high-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.

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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