| CAS No. | 478080-21-6 |
| Molecular Formula | C17H10Cl2F3N3S2 |
| Molecular Weight | 448.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
(1Z)-N-(2,4-Dichlorophenyl)-1-(4-methyl-1,2,3-thiadiazol-5-yl)-1-{[3-(trifluoromethyl)phenyl]sulfanyl}methanimine (CAS 478080-21-6) is a high-purity analytical reference standard with the molecular formula C17H10Cl2F3N3S2 and a molecular weight of 448.31 g/mol.
Structurally, (1Z)-N-(2,4-Dichlorophenyl)-1-(4-methyl-1,2,3-thiadiazol-5-yl)-1-{[3-(trifluoromethyl)phenyl]sulfanyl}methanimine (C17H10Cl2F3N3S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 448.31 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
| Molecular Formula | C17H10Cl2F3N3S2 |
| Molecular Weight | 448.31 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |