3-(2H-1,3-Benzodioxol-5-yl)-1-(2-cyano-4,5-dimethoxyphenyl)thiourea CAS 692732-83-5

Purity 97%+In StockPharmaceutical Standards
CAS No.692732-83-5
Molecular FormulaC17H15N3O4S
Molecular Weight357.38 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(2H-1,3-Benzodioxol-5-yl)-1-(2-cyano-4,5-dimethoxyphenyl)thiourea CAS 692732-83-5 chemical structure

Description

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.

3-(2H-1,3-Benzodioxol-5-yl)-1-(2-cyano-4,5-dimethoxyphenyl)thiourea (CAS 692732-83-5), molecular formula C17H15N3O4S and molecular weight 357.38 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C17H15N3O4S, 3-(2H-1,3-Benzodioxol-5-yl)-1-(2-cyano-4,5-dimethoxyphenyl)thiourea contains a flavonoid core, 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 357.38 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

Physical & Chemical Properties

Molecular FormulaC17H15N3O4S
Molecular Weight357.38 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.)1985
Nitrogen Atoms3
Sulfur Atoms1

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