Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)thiophene-2-carboxylate CAS 477857-89-9

Purity 97%+In StockPharmaceutical Standards
CAS No.477857-89-9
Molecular FormulaC13H11ClO2S2
Molecular Weight298.81 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)thiophene-2-carboxylate CAS 477857-89-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 298.81 g/mol gives Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)thiophene-2-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)thiophene-2-carboxylate (CAS 477857-89-9), molecular formula C13H11ClO2S2 and molecular weight 298.81 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system, Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)thiophene-2-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 298.81 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC13H11ClO2S2
Molecular Weight298.81 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
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.)2025
Halogen ContentCl-containing
Sulfur Atoms2

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