Ethyl 3-(thiophen-2-yl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine-6-carboxylate CAS 338965-93-8
| CAS No. | 338965-93-8 |
| Molecular Formula | C17H12F3N3O2S2 |
| Molecular Weight | 411.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 3-(thiophen-2-yl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine-6-carboxylate (C17H12F3N3O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Ethyl 3-(thiophen-2-yl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine-6-carboxylate (CAS 338965-93-8), molecular formula C17H12F3N3O2S2 and molecular weight 411.42 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures Ethyl 3-(thiophen-2-yl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,4-triazine-6-carboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H12F3N3O2S2 |
| Molecular Weight | 411.42 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 4-(4-(Allyloxy)benzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one (CAS 618074-27-4)
- N-methyl-2-(3-(pyridin-3-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl)hydrazine-1-carbothioamide (CAS 551921-18-7)
- 2-Fluoro-6-(2-methoxyethoxy)pyridine (CAS 1251232-36-6)
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- Sodium 4-acetylbenzenesulfonate (CAS 61827-67-6)
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