Methyl 2-isothiocyanato-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate CAS 588713-28-4

Description

Methyl 2-isothiocyanato-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 588713-28-4) is a high-purity analytical reference standard with the molecular formula C12H13NO2S2 and a molecular weight of 267.37 g/mol.

Methyl 2-isothiocyanato-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (C12H13NO2S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. Its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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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