4-(Propan-2-yl)benzene-1-carbothioamide CAS 53515-20-1

Description

Compared with other compounds in its class, the molecular weight of 179.28 g/mol gives 4-(Propan-2-yl)benzene-1-carbothioamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-(Propan-2-yl)benzene-1-carbothioamide (CAS 53515-20-1), molecular formula C10H13NS and molecular weight 179.28 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 4-(Propan-2-yl)benzene-1-carbothioamide (C10H13NS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 179.28 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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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