2-(tert-Butyl)-5-methyl-1,3,4-thiadiazole CAS 38391-22-9

Description

The occurrence of 2-(tert-Butyl)-5-methyl-1,3,4-thiadiazole is closely related to a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-(tert-Butyl)-5-methyl-1,3,4-thiadiazole (CAS 38391-22-9), molecular formula C7H12N2S and molecular weight 156.25 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-(tert-Butyl)-5-methyl-1,3,4-thiadiazole (C7H12N2S) contains a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 156.25 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.

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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