3-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)pentane-2,4-dione CAS 876719-04-9
| CAS No. | 876719-04-9 |
| Molecular Formula | C12H14N4O2S |
| Molecular Weight | 278.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)pentane-2,4-dione is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)pentane-2,4-dione (CAS 876719-04-9), a certified reference material (molecular formula C12H14N4O2S, MW 278.33 g/mol) for analytical method development and quality control.
Based on its molecular formula C12H14N4O2S, 3-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)pentane-2,4-dione 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 278.33 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.
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 Formula | C12H14N4O2S |
| Molecular Weight | 278.33 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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