6,6'-(Ethene-1,2-diyl)bis(3-isothiocyanatobenzenesulfonic acid) CAS 53005-05-3

Purity 97%+In StockPharmaceutical Standards
CAS No.53005-05-3
Molecular FormulaC16H10N2O6S4
Molecular Weight454.52 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6,6'-(Ethene-1,2-diyl)bis(3-isothiocyanatobenzenesulfonic acid) CAS 53005-05-3 chemical structure

Description

6,6'-(Ethene-1,2-diyl)bis(3-isothiocyanatobenzenesulfonic acid) (CAS 53005-05-3), molecular formula C16H10N2O6S4 and molecular weight 454.52 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 6,6'-(Ethene-1,2-diyl)bis(3-isothiocyanatobenzenesulfonic acid) (C16H10N2O6S4) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 454.52 g/mol, it falls into the moderately-high-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.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

CATO manufactures 6,6'-(Ethene-1,2-diyl)bis(3-isothiocyanatobenzenesulfonic acid) 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 FormulaC16H10N2O6S4
Molecular Weight454.52 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1972
Nitrogen Atoms2
Sulfur Atoms4

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