Methyl 3-(2H-1,3-benzodioxol-5-yl)-3-[(methylcarbamothioyl)amino]propanoate CAS 866136-97-2

Purity 97%+In StockPharmaceutical Standards
CAS No.866136-97-2
Molecular FormulaC13H16N2O4S
Molecular Weight296.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 3-(2H-1,3-benzodioxol-5-yl)-3-[(methylcarbamothioyl)amino]propanoate CAS 866136-97-2 chemical structure

Description

CATO manufactures Methyl 3-(2H-1,3-benzodioxol-5-yl)-3-[(methylcarbamothioyl)amino]propanoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

CATO supplies Methyl 3-(2H-1,3-benzodioxol-5-yl)-3-[(methylcarbamothioyl)amino]propanoate (CAS 866136-97-2), a certified reference material (molecular formula C13H16N2O4S, MW 296.34 g/mol) for analytical method development and quality control.

Based on its molecular formula C13H16N2O4S, Methyl 3-(2H-1,3-benzodioxol-5-yl)-3-[(methylcarbamothioyl)amino]propanoate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 296.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

Physical & Chemical Properties

Molecular FormulaC13H16N2O4S
Molecular Weight296.34 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms2
Sulfur Atoms1

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