2-({[4-cyclopropyl-6-(methylthio)-1,3,5-triazin-2-yl]amino}methylidene)-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione CAS 649578-95-0
| CAS No. | 649578-95-0 |
| Molecular Formula | C16H13F3N4O2S2 |
| Molecular Weight | 414.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 414.43 g/mol gives 2-({[4-cyclopropyl-6-(methylthio)-1,3,5-triazin-2-yl]amino}methylidene)-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-({[4-cyclopropyl-6-(methylthio)-1,3,5-triazin-2-yl]amino}methylidene)-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione (CAS 649578-95-0), molecular formula C16H13F3N4O2S2 and molecular weight 414.43 g/mol, is a CATO reference standard with documented purity and traceability.
2-({[4-cyclopropyl-6-(methylthio)-1,3,5-triazin-2-yl]amino}methylidene)-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione (C16H13F3N4O2S2) contains a nitrogen-containing heterocyclic scaffold, 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.
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 2-({[4-cyclopropyl-6-(methylthio)-1,3,5-triazin-2-yl]amino}methylidene)-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione 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 | C16H13F3N4O2S2 |
| Molecular Weight | 414.43 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
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Recommended Standards
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