214330-98-0 3-[(4-bromophenyl)thio]-2-cyano-3-(methylthio)-2-propenoic acid ethyl ester A815354 ethyl 3-(4-bromophenyl)sulfanyl-2-cyano-3-methylsulfanyl-prop-2-enoate CAS 214330-98-0

Purity 97%+In StockPharmaceutical Standards
CAS No.214330-98-0
Molecular FormulaC13H12BrNO2S2
Molecular Weight358.27 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

214330-98-0
3-[(4-bromophenyl)thio]-2-cyano-3-(methylthio)-2-propenoic acid ethyl ester
A815354
ethyl 3-(4-bromophenyl)sulfanyl-2-cyano-3-methylsulfanyl-prop-2-enoate CAS 214330-98-0 chemical structure

Description

The occurrence of 214330-98-0 3-[(4-bromophenyl)thio]-2-cyano-3-(methylthio)-2-propenoic acid ethyl ester A815354 ethyl 3-(4-bromophenyl)sulfanyl-2-cyano-3-methylsulfanyl-prop-2-enoate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

214330-98-0 3-[(4-bromophenyl)thio]-2-cyano-3-(methylthio)-2-propenoic acid ethyl ester A815354 ethyl 3-(4-bromophenyl)sulfanyl-2-cyano-3-methylsulfanyl-prop-2-enoate (CAS 214330-98-0), molecular formula C13H12BrNO2S2 and molecular weight 358.27 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C13H12BrNO2S2, 214330-98-0 3-[(4-bromophenyl)thio]-2-cyano-3-(methylthio)-2-propenoic acid ethyl ester A815354 ethyl 3-(4-bromophenyl)sulfanyl-2-cyano-3-methylsulfanyl-prop-2-enoate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 358.27 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC13H12BrNO2S2
Molecular Weight358.27 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2018
Halogen ContentBr-containing
Nitrogen Atoms1
Sulfur Atoms2

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