(1,1-dioxo-1H-benzo[d]isothiazol-3-ylsulfanyl)-acetonitrile 2-((1,1-dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile 80357-08-0 CAS 80357-08-0

Purity 97%+In StockPharmaceutical Standards
CAS No.80357-08-0
Molecular FormulaC9H6N2O2S2
Molecular Weight238.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(1,1-dioxo-1H-benzo[d]isothiazol-3-ylsulfanyl)-acetonitrile
2-((1,1-dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile
80357-08-0 CAS 80357-08-0 chemical structure

Description

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.

(1,1-dioxo-1H-benzo[d]isothiazol-3-ylsulfanyl)-acetonitrile 2-((1,1-dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile 80357-08-0 (CAS 80357-08-0) is a high-purity analytical reference standard with the molecular formula C9H6N2O2S2 and a molecular weight of 238.29 g/mol.

Based on its molecular formula C9H6N2O2S2, (1,1-dioxo-1H-benzo[d]isothiazol-3-ylsulfanyl)-acetonitrile 2-((1,1-dioxidobenzo[d]isothiazol-3-yl)thio)acetonitrile 80357-08-0 contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 238.29 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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.

Physical & Chemical Properties

Molecular FormulaC9H6N2O2S2
Molecular Weight238.29 g/mol
Purity97%+
StorageStore at 2-8°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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1979
Nitrogen Atoms2
Sulfur Atoms2

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