| CAS No. | 478048-42-9 |
| Molecular Formula | C21H13F3N4S3 |
| Molecular Weight | 474.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
3-(Methylsulfanyl)-4-phenyl-5-[3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4H-1,2,4-triazole (CAS 478048-42-9) is a high-purity analytical reference standard with the molecular formula C21H13F3N4S3 and a molecular weight of 474.54 g/mol.
The molecular framework of 3-(Methylsulfanyl)-4-phenyl-5-[3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4H-1,2,4-triazole (C21H13F3N4S3) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 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 presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
As a certified reference material (CRM), 3-(Methylsulfanyl)-4-phenyl-5-[3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4H-1,2,4-triazole meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
| Molecular Formula | C21H13F3N4S3 |
| Molecular Weight | 474.54 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 3 |