3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-[(E)-2-{[3-(trifluoromethyl)phenyl]amino}ethenyl]-1,2-thiazole-4-carbonitrile CAS 338413-03-9
| CAS No. | 338413-03-9 |
| Molecular Formula | C19H9ClF6N4S2 |
| Molecular Weight | 506.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-[(E)-2-{[3-(trifluoromethyl)phenyl]amino}ethenyl]-1,2-thiazole-4-carbonitrile (CAS 338413-03-9) is a high-purity analytical reference standard with the molecular formula C19H9ClF6N4S2 and a molecular weight of 506.87 g/mol.
Based on its molecular formula C19H9ClF6N4S2, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-[(E)-2-{[3-(trifluoromethyl)phenyl]amino}ethenyl]-1,2-thiazole-4-carbonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 506.87 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C19H9ClF6N4S2 |
| Molecular Weight | 506.87 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
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