5-(Methylthio)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7(1H)-one CAS 40597-87-3

Purity 97%+In StockPharmaceutical Standards
CAS No.40597-87-3
Molecular FormulaC5H5N5OS
Molecular Weight183.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(Methylthio)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7(1H)-one CAS 40597-87-3 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-(Methylthio)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7(1H)-one.

5-(Methylthio)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7(1H)-one (CAS 40597-87-3) is a high-purity analytical reference standard with the molecular formula C5H5N5OS and a molecular weight of 183.19 g/mol.

Based on its molecular formula C5H5N5OS, 5-(Methylthio)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7(1H)-one contains an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 183.19 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC5H5N5OS
Molecular Weight183.19 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)6.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1968
Nitrogen Atoms5
Sulfur Atoms1

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