| CAS No. | 894059-48-4 |
| Molecular Formula | C17H12FN5S |
| Molecular Weight | 337.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
3-((2-Fluorobenzyl)thio)-6-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 894059-48-4) is a high-purity analytical reference standard with the molecular formula C17H12FN5S and a molecular weight of 337.37 g/mol.
Based on its molecular formula C17H12FN5S, 3-((2-Fluorobenzyl)thio)-6-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 337.37 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
| Molecular Formula | C17H12FN5S |
| Molecular Weight | 337.37 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |