| CAS No. | 478261-61-9 |
| Molecular Formula | C21H19Cl2N3S2 |
| Molecular Weight | 448.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
As a certified reference material (CRM), 2-{[(4-chlorophenyl)methyl]sulfanyl}-6-{[(4-chlorophenyl)sulfanyl]methyl}-N-(prop-2-en-1-yl)pyrimidin-4-amine meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
2-{[(4-chlorophenyl)methyl]sulfanyl}-6-{[(4-chlorophenyl)sulfanyl]methyl}-N-(prop-2-en-1-yl)pyrimidin-4-amine (CAS 478261-61-9), molecular formula C21H19Cl2N3S2 and molecular weight 448.43 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-{[(4-chlorophenyl)methyl]sulfanyl}-6-{[(4-chlorophenyl)sulfanyl]methyl}-N-(prop-2-en-1-yl)pyrimidin-4-amine (C21H19Cl2N3S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 448.43 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.
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.
| Molecular Formula | C21H19Cl2N3S2 |
| Molecular Weight | 448.43 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |