3-isothiocyanato-2,3-dihydro-1$l^{6}-thiophene-1,1-dione CAS 893725-07-0

Purity 97%+In StockPharmaceutical Standards
CAS No.893725-07-0
Molecular FormulaC5H5NO2S2
Molecular Weight175.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-isothiocyanato-2,3-dihydro-1$l^{6}-thiophene-1,1-dione CAS 893725-07-0 chemical structure

Description

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.

3-isothiocyanato-2,3-dihydro-1$l^{6}-thiophene-1,1-dione (CAS 893725-07-0), molecular formula C5H5NO2S2 and molecular weight 175.23 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-isothiocyanato-2,3-dihydro-1$l^{6}-thiophene-1,1-dione (C5H5NO2S2) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 175.23 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

As a certified reference material (CRM), 3-isothiocyanato-2,3-dihydro-1$l^{6}-thiophene-1,1-dione 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 FormulaC5H5NO2S2
Molecular Weight175.23 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)4.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1987
Nitrogen Atoms1
Sulfur Atoms2

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