3-[(3-Methylbenzyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile CAS 439096-50-1

Description

Compared with other compounds in its class, the molecular weight of 384.54 g/mol gives 3-[(3-Methylbenzyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-[(3-Methylbenzyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (CAS 439096-50-1), molecular formula C25H24N2S and molecular weight 384.54 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-[(3-Methylbenzyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (C25H24N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 384.54 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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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