Ethyl 5-{[(4-chlorophenyl)methyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiole-4-carboxylate CAS 338761-96-9

Purity 97%+In StockPharmaceutical Standards
CAS No.338761-96-9
Molecular FormulaC13H11ClO2S4
Molecular Weight362.94 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 5-{[(4-chlorophenyl)methyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiole-4-carboxylate CAS 338761-96-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 362.94 g/mol gives Ethyl 5-{[(4-chlorophenyl)methyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiole-4-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Ethyl 5-{[(4-chlorophenyl)methyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiole-4-carboxylate (CAS 338761-96-9) is a high-purity analytical reference standard with the molecular formula C13H11ClO2S4 and a molecular weight of 362.94 g/mol.

Structurally, Ethyl 5-{[(4-chlorophenyl)methyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiole-4-carboxylate (C13H11ClO2S4) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 362.94 g/mol, it falls into the moderately-high-molecular-weight range. 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.

As a certified reference material (CRM), Ethyl 5-{[(4-chlorophenyl)methyl]sulfanyl}-2-sulfanylidene-2H-1,3-dithiole-4-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC13H11ClO2S4
Molecular Weight362.94 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Sulfur Atoms4

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