3-Thiophenecarboxylic acid, 2-isothiocyanato-4,5-dimethyl-, methyl ester (9CI) 588676-61-3 CAS 588676-61-3

Purity 97%+In StockPharmaceutical Standards
CAS No.588676-61-3
Molecular FormulaC9H9NO2S2
Molecular Weight227.30 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Thiophenecarboxylic acid, 2-isothiocyanato-4,5-dimethyl-, methyl ester (9CI) 588676-61-3 CAS 588676-61-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 227.30 g/mol gives 3-Thiophenecarboxylic acid, 2-isothiocyanato-4,5-dimethyl-, methyl ester (9CI) 588676-61-3 distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Thiophenecarboxylic acid, 2-isothiocyanato-4,5-dimethyl-, methyl ester (9CI) 588676-61-3 (CAS 588676-61-3), molecular formula C9H9NO2S2 and molecular weight 227.30 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 3-Thiophenecarboxylic acid, 2-isothiocyanato-4,5-dimethyl-, methyl ester (9CI) 588676-61-3 (C9H9NO2S2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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.

CATO manufactures 3-Thiophenecarboxylic acid, 2-isothiocyanato-4,5-dimethyl-, methyl ester (9CI) 588676-61-3 under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC9H9NO2S2
Molecular Weight227.30 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.)1984
Nitrogen Atoms1
Sulfur Atoms2

Related Thiophenecarboxylic Standards

Recommended Standards

Why CATO?