7-{[(4-methylphenyl)methyl]sulfanyl}-10-thia-3,6,8-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,7,11-tetraen-4-one CAS 866131-87-5

Purity 97%+In StockPharmaceutical Standards
CAS No.866131-87-5
Molecular FormulaC16H13N3OS2
Molecular Weight327.42 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

7-{[(4-methylphenyl)methyl]sulfanyl}-10-thia-3,6,8-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,7,11-tetraen-4-one CAS 866131-87-5 chemical structure

Description

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.

CATO supplies 7-{[(4-methylphenyl)methyl]sulfanyl}-10-thia-3,6,8-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,7,11-tetraen-4-one (CAS 866131-87-5), a certified reference material (molecular formula C16H13N3OS2, MW 327.42 g/mol) for analytical method development and quality control.

7-{[(4-methylphenyl)methyl]sulfanyl}-10-thia-3,6,8-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,7,11-tetraen-4-one (C16H13N3OS2) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. Its high carbon-to-hydrogen ratio confers good lipid solubility; 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.

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 FormulaC16H13N3OS2
Molecular Weight327.42 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms3
Sulfur Atoms2

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