5-Chloro-2-(2-((5-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-3-methylbenzo[d]thiazol-3-ium 4-methylbenzenesulfonate CAS 82539-25-1

Description

Compared with other compounds in its class, the molecular weight of 605.61 g/mol gives 5-Chloro-2-(2-((5-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-3-methylbenzo[d]thiazol-3-ium 4-methylbenzenesulfonate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-Chloro-2-(2-((5-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-3-methylbenzo[d]thiazol-3-ium 4-methylbenzenesulfonate (CAS 82539-25-1), molecular formula C21H19Cl2N2S2C7H7O3S and molecular weight 605.61 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 5-Chloro-2-(2-((5-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)methyl)but-1-en-1-yl)-3-methylbenzo[d]thiazol-3-ium 4-methylbenzenesulfonate (C21H19Cl2N2S2C7H7O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 605.61 g/mol, it falls into the 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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