| CAS No. | 339099-68-2 |
| Molecular Formula | C17H10F6N2OS |
| Molecular Weight | 404.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 404.33 g/mol gives 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole (CAS 339099-68-2), molecular formula C17H10F6N2OS and molecular weight 404.33 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-[3,5-Bis(trifluoromethyl)phenyl]-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole (C17H10F6N2OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
| Molecular Formula | C17H10F6N2OS |
| Molecular Weight | 404.33 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |