N-[(E)-2-[3-(Benzylsulfanyl)-6-methyl-1,2,4-triazin-5-yl]ethenyl]-3-(trifluoromethyl)aniline CAS 477866-49-2
| CAS No. | 477866-49-2 |
| Molecular Formula | C20H17F3N4S |
| Molecular Weight | 402.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C20H17F3N4S, N-[(E)-2-[3-(Benzylsulfanyl)-6-methyl-1,2,4-triazin-5-yl]ethenyl]-3-(trifluoromethyl)aniline 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 402.44 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.
CATO supplies N-[(E)-2-[3-(Benzylsulfanyl)-6-methyl-1,2,4-triazin-5-yl]ethenyl]-3-(trifluoromethyl)aniline (CAS 477866-49-2), a certified reference material (molecular formula C20H17F3N4S, MW 402.44 g/mol) for analytical method development and quality control.
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.
As a certified reference material (CRM), N-[(E)-2-[3-(Benzylsulfanyl)-6-methyl-1,2,4-triazin-5-yl]ethenyl]-3-(trifluoromethyl)aniline 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.
Physical & Chemical Properties
| Molecular Formula | C20H17F3N4S |
| Molecular Weight | 402.44 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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