(Z)-4-Methoxy-1-(4-nitrophenyl)-1,4-dioxo-3-(pyridin-1-ium-1-yl)but-2-ene-2-thiolate CAS 2417676-84-5

Purity 97%+In StockPharmaceutical Standards
CAS No.2417676-84-5
Molecular FormulaC16H12N2O5S
Molecular Weight344.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(Z)-4-Methoxy-1-(4-nitrophenyl)-1,4-dioxo-3-(pyridin-1-ium-1-yl)but-2-ene-2-thiolate CAS 2417676-84-5 chemical structure

Description

The occurrence of (Z)-4-Methoxy-1-(4-nitrophenyl)-1,4-dioxo-3-(pyridin-1-ium-1-yl)but-2-ene-2-thiolate is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(Z)-4-Methoxy-1-(4-nitrophenyl)-1,4-dioxo-3-(pyridin-1-ium-1-yl)but-2-ene-2-thiolate (CAS 2417676-84-5), molecular formula C16H12N2O5S and molecular weight 344.34 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, (Z)-4-Methoxy-1-(4-nitrophenyl)-1,4-dioxo-3-(pyridin-1-ium-1-yl)but-2-ene-2-thiolate (C16H12N2O5S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 344.34 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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

Molecular FormulaC16H12N2O5S
Molecular Weight344.34 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2000
Nitrogen Atoms2
Sulfur Atoms1

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