2-((4-Oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile CAS 896331-82-1

Purity 97%+In StockPharmaceutical Standards
CAS No.896331-82-1
Molecular FormulaC9H6N4OS
Molecular Weight218.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((4-Oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile CAS 896331-82-1 chemical structure

Description

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, 2-((4-Oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 218.24 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).

2-((4-Oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetonitrile (CAS 896331-82-1), molecular formula C9H6N4OS and molecular weight 218.24 g/mol, is a CATO reference standard with documented purity and traceability.

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.

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.

Physical & Chemical Properties

Molecular FormulaC9H6N4OS
Molecular Weight218.24 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms4
Sulfur Atoms1

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