6-Methoxy-4-methyl-2(3H)-benzothiazolone CAS 80689-16-3

Purity 97%+In StockPharmaceutical Standards
CAS No.80689-16-3
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-Methoxy-4-methyl-2(3H)-benzothiazolone CAS 80689-16-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 195.24 g/mol gives 6-Methoxy-4-methyl-2(3H)-benzothiazolone distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

6-Methoxy-4-methyl-2(3H)-benzothiazolone (CAS 80689-16-3), molecular formula C9H9NO2S and molecular weight 195.24 g/mol, is a CATO reference standard with documented purity and traceability.

6-Methoxy-4-methyl-2(3H)-benzothiazolone (C9H9NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1980
Nitrogen Atoms1
Sulfur Atoms1

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