5-Fluoro-2-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)-6-methylpyrimidine-4(3H)-thione CAS 1823183-53-4
| CAS No. | 1823183-53-4 |
| Molecular Formula | C11H6F5N3S |
| Molecular Weight | 307.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 307.24 g/mol gives 5-Fluoro-2-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)-6-methylpyrimidine-4(3H)-thione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-Fluoro-2-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)-6-methylpyrimidine-4(3H)-thione (CAS 1823183-53-4) is a high-purity analytical reference standard with the molecular formula C11H6F5N3S and a molecular weight of 307.24 g/mol.
Structurally, 5-Fluoro-2-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)-6-methylpyrimidine-4(3H)-thione (C11H6F5N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 307.24 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.
CATO manufactures 5-Fluoro-2-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)-6-methylpyrimidine-4(3H)-thione 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 | C11H6F5N3S |
| Molecular Weight | 307.24 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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