Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate CAS 852372-89-5
| CAS No. | 852372-89-5 |
| Molecular Formula | C14H12N4O2S |
| Molecular Weight | 300.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate (CAS 852372-89-5) is a high-purity analytical reference standard with the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol.
Based on its molecular formula C14H12N4O2S, Methyl 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate 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 300.34 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.
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 | C14H12N4O2S |
| Molecular Weight | 300.34 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Recommended Standards
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- Methyl (5-(pyridin-2-ylthio)-1H-benzo[d]imidazol-2-yl)carbamate (CAS 55564-22-2)
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- 3-cyclopentyl-1-methyl-4,5-dihydro-1H-pyrazol-5-one (CAS 1565403-78-2)
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- Semaglutide impurity 277 (CAS CATO-C4X-2226277)
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