2-{[4-(3-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid CAS 603070-42-4

Description

Compared with other compounds in its class, the molecular weight of 279.31 g/mol gives 2-{[4-(3-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-{[4-(3-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 603070-42-4), molecular formula C12H13N3O3S and molecular weight 279.31 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-{[4-(3-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid (C12H13N3O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 279.31 g/mol, it falls into the medium-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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