1-(2-Thienyl)-2,3-butadien-1-one CAS 54971-76-5

Purity 97%+In StockPharmaceutical Standards
CAS No.54971-76-5
Molecular FormulaC8H6OS
Molecular Weight150.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(2-Thienyl)-2,3-butadien-1-one CAS 54971-76-5 chemical structure

Description

The occurrence of 1-(2-Thienyl)-2,3-butadien-1-one is closely related to sulfur-containing functionality, a hydroxyl group, an ether linkage, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(2-Thienyl)-2,3-butadien-1-one (CAS 54971-76-5), molecular formula C8H6OS and molecular weight 150.20 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C8H6OS, 1-(2-Thienyl)-2,3-butadien-1-one contains sulfur-containing functionality, a hydroxyl group, an ether linkage, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 150.20 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

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 FormulaC8H6OS
Molecular Weight150.20 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1972
Sulfur Atoms1

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