3-Isothiocyanatotetrahydrothiophene 1,1-dioxide CAS 85109-44-0

Purity 97%+In StockPharmaceutical Standards
CAS No.85109-44-0
Molecular FormulaC5H7NO2S2
Molecular Weight177.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Isothiocyanatotetrahydrothiophene 1,1-dioxide CAS 85109-44-0 chemical structure

Description

3-Isothiocyanatotetrahydrothiophene 1,1-dioxide (C5H7NO2S2) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. 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.

3-Isothiocyanatotetrahydrothiophene 1,1-dioxide (CAS 85109-44-0) is a high-purity analytical reference standard with the molecular formula C5H7NO2S2 and a molecular weight of 177.24 g/mol.

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

As a certified reference material (CRM), 3-Isothiocyanatotetrahydrothiophene 1,1-dioxide 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 FormulaC5H7NO2S2
Molecular Weight177.24 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)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1981
Nitrogen Atoms1
Sulfur Atoms2

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