5-Methyl-3-(thiophen-2-yl)-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile CAS 860784-23-2

Purity 97%+In StockPharmaceutical Standards
CAS No.860784-23-2
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Methyl-3-(thiophen-2-yl)-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile CAS 860784-23-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 281.38 g/mol gives 5-Methyl-3-(thiophen-2-yl)-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-Methyl-3-(thiophen-2-yl)-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile (CAS 860784-23-2), molecular formula C16H15N3S and molecular weight 281.38 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C16H15N3S, 5-Methyl-3-(thiophen-2-yl)-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 281.38 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).

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 FormulaC16H15N3S
Molecular Weight281.38 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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms3
Sulfur Atoms1

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