Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate CAS 588695-58-3

Purity 97%+In StockPharmaceutical Standards
CAS No.588695-58-3
Molecular FormulaC11H13NO2S2
Molecular Weight255.36 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate CAS 588695-58-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 255.36 g/mol gives Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate (CAS 588695-58-3), molecular formula C11H13NO2S2 and molecular weight 255.36 g/mol, is a CATO reference standard with documented purity and traceability.

Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate (C11H13NO2S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. Its high carbon-to-hydrogen ratio confers good lipid solubility, 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.

CATO manufactures Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate 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 FormulaC11H13NO2S2
Molecular Weight255.36 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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Nitrogen Atoms1
Sulfur Atoms2

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