2-(3-Methyl-isothiazol-5-yl)-benzoic acid methyl ester CAS 39100-76-0

Purity 97%+In StockPharmaceutical Standards
CAS No.39100-76-0
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(3-Methyl-isothiazol-5-yl)-benzoic acid methyl ester CAS 39100-76-0 chemical structure

Description

The occurrence of 2-(3-Methyl-isothiazol-5-yl)-benzoic acid methyl ester is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-(3-Methyl-isothiazol-5-yl)-benzoic acid methyl ester (CAS 39100-76-0) is a high-purity analytical reference standard with the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol.

Based on its molecular formula C12H11NO2S, 2-(3-Methyl-isothiazol-5-yl)-benzoic acid methyl ester contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 233.29 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC12H11NO2S
Molecular Weight233.29 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
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1968
Nitrogen Atoms1
Sulfur Atoms1

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