| CAS No. | 338747-67-4 |
| Molecular Formula | C13H10F3N5S2 |
| Molecular Weight | 357.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The molecular framework of 1-Methyl-5-[4-methyl-5-(2-propynylsulfanyl)-4H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole (C13H10F3N5S2) 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 the protonation state of its nitrogen-containing groups, 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).
1-Methyl-5-[4-methyl-5-(2-propynylsulfanyl)-4H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole (CAS 338747-67-4) is a high-purity analytical reference standard with the molecular formula C13H10F3N5S2 and a molecular weight of 357.38 g/mol.
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 | C13H10F3N5S2 |
| Molecular Weight | 357.38 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 2 |