5-(tert-Butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid CAS 126231-22-9

Purity 97%+In StockPharmaceutical Standards
CAS No.126231-22-9
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(tert-Butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid CAS 126231-22-9 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.

CATO supplies 5-(tert-Butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid (CAS 126231-22-9), a certified reference material (molecular formula C13H18O2S, MW 238.35 g/mol) for analytical method development and quality control.

The molecular framework of 5-(tert-Butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid (C13H18O2S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.

Physical & Chemical Properties

Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1993
Sulfur Atoms1

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