Ethyl 2-isothiocyanato-4-(methylthio)butanoate CAS 58511-07-2

Description

The occurrence of Ethyl 2-isothiocyanato-4-(methylthio)butanoate is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Ethyl 2-isothiocyanato-4-(methylthio)butanoate (CAS 58511-07-2), molecular formula C8H13NO2S2 and molecular weight 219.32 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Ethyl 2-isothiocyanato-4-(methylthio)butanoate (C8H13NO2S2) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. 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 219.32 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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