2-(Cyclopropylamino)-2-oxoethyl 2-(methylthio)nicotinate CAS 491629-67-5

Purity 97%+In StockPharmaceutical Standards
CAS No.491629-67-5
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(Cyclopropylamino)-2-oxoethyl 2-(methylthio)nicotinate CAS 491629-67-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 266.32 g/mol gives 2-(Cyclopropylamino)-2-oxoethyl 2-(methylthio)nicotinate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 2-(Cyclopropylamino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 491629-67-5), a certified reference material (molecular formula C12H14N2O3S, MW 266.32 g/mol) for analytical method development and quality control.

Structurally, 2-(Cyclopropylamino)-2-oxoethyl 2-(methylthio)nicotinate (C12H14N2O3S) 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 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 266.32 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC12H14N2O3S
Molecular Weight266.32 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms2
Sulfur Atoms1

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