| CAS No. | 685106-58-5 |
| Molecular Formula | C22H19N3O2S2 |
| Molecular Weight | 421.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 1-[(5-{3-[(4-methylphenyl)methoxy]thiophen-2-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethan-1-one is closely related to a steroid core, 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 1-[(5-{3-[(4-methylphenyl)methoxy]thiophen-2-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethan-1-one (CAS 685106-58-5), a certified reference material (molecular formula C22H19N3O2S2, MW 421.54 g/mol) for analytical method development and quality control.
1-[(5-{3-[(4-methylphenyl)methoxy]thiophen-2-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylethan-1-one (C22H19N3O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C22H19N3O2S2 |
| Molecular Weight | 421.54 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |