Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate CAS 112101-60-7

Purity 97%+In StockPharmaceutical Standards
CAS No.112101-60-7
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate CAS 112101-60-7 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 210.25 g/mol gives Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate (CAS 112101-60-7) is a high-purity analytical reference standard with the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol.

The molecular framework of Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate (C10H10O3S) 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.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC10H10O3S
Molecular Weight210.25 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Sulfur Atoms1

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