2-Nitro-5-(prop-2-yn-1-yloxy)benzyl 4-cyano-4-((phenylcarbonothioyl)thio)pentanoate CAS 1318075-32-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1318075-32-9
Molecular FormulaC23H20N2O5S2
Molecular Weight468.55 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Nitro-5-(prop-2-yn-1-yloxy)benzyl 4-cyano-4-((phenylcarbonothioyl)thio)pentanoate CAS 1318075-32-9 chemical structure

Description

CATO supplies 2-Nitro-5-(prop-2-yn-1-yloxy)benzyl 4-cyano-4-((phenylcarbonothioyl)thio)pentanoate (CAS 1318075-32-9), a certified reference material (molecular formula C23H20N2O5S2, MW 468.55 g/mol) for analytical method development and quality control.

Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, 2-Nitro-5-(prop-2-yn-1-yloxy)benzyl 4-cyano-4-((phenylcarbonothioyl)thio)pentanoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 468.55 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC23H20N2O5S2
Molecular Weight468.55 g/mol
Purity97%+
StorageStore in a cool place (≤25°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)15.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Nitrogen Atoms2
Sulfur Atoms2

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