3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-[(2Z)-2-{[(4-methylphenyl)methoxy]imino}ethyl]-1,2-thiazole-4-carbonitrile CAS 338413-10-8
| CAS No. | 338413-10-8 |
| Molecular Formula | C20H14ClF3N4OS2 |
| Molecular Weight | 482.93 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-[(2Z)-2-{[(4-methylphenyl)methoxy]imino}ethyl]-1,2-thiazole-4-carbonitrile (CAS 338413-10-8), molecular formula C20H14ClF3N4OS2 and molecular weight 482.93 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C20H14ClF3N4OS2, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-[(2Z)-2-{[(4-methylphenyl)methoxy]imino}ethyl]-1,2-thiazole-4-carbonitrile contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 482.93 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.
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 | C20H14ClF3N4OS2 |
| Molecular Weight | 482.93 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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