4-Cyano-5-(methylthio)-3-(3-(trifluoromethyl)phenyl)thiophene-2-carboxylic acid CAS 116492-99-0

Purity 97%+In StockPharmaceutical Standards
CAS No.116492-99-0
Molecular FormulaC14H8F3NO2S2
Molecular Weight343.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Cyano-5-(methylthio)-3-(3-(trifluoromethyl)phenyl)thiophene-2-carboxylic acid CAS 116492-99-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 343.34 g/mol gives 4-Cyano-5-(methylthio)-3-(3-(trifluoromethyl)phenyl)thiophene-2-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 4-Cyano-5-(methylthio)-3-(3-(trifluoromethyl)phenyl)thiophene-2-carboxylic acid (CAS 116492-99-0), a certified reference material (molecular formula C14H8F3NO2S2, MW 343.34 g/mol) for analytical method development and quality control.

Structurally, 4-Cyano-5-(methylthio)-3-(3-(trifluoromethyl)phenyl)thiophene-2-carboxylic acid (C14H8F3NO2S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 343.34 g/mol, it falls into the moderately-high-molecular-weight range. 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 FormulaC14H8F3NO2S2
Molecular Weight343.34 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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentF-containing
Nitrogen Atoms1
Sulfur Atoms2

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