3-(1-Methyl-1H-pyrazol-4-yl)-1,4-thiazepane CAS 2090983-87-0

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-(1-Methyl-1H-pyrazol-4-yl)-1,4-thiazepane.

3-(1-Methyl-1H-pyrazol-4-yl)-1,4-thiazepane (CAS 2090983-87-0), molecular formula C9H15N3S and molecular weight 197.30 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-(1-Methyl-1H-pyrazol-4-yl)-1,4-thiazepane (C9H15N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 197.30 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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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