9-Methyl-2-((3-(trifluoromethyl)benzyl)thio)-5H-thiochromeno[4,3-d]pyrimidine CAS 478246-84-3
| CAS No. | 478246-84-3 |
| Molecular Formula | C20H15F3N2S2 |
| Molecular Weight | 404.47 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 9-Methyl-2-((3-(trifluoromethyl)benzyl)thio)-5H-thiochromeno[4,3-d]pyrimidine 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.
9-Methyl-2-((3-(trifluoromethyl)benzyl)thio)-5H-thiochromeno[4,3-d]pyrimidine (CAS 478246-84-3), molecular formula C20H15F3N2S2 and molecular weight 404.47 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 9-Methyl-2-((3-(trifluoromethyl)benzyl)thio)-5H-thiochromeno[4,3-d]pyrimidine (C20H15F3N2S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine 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 404.47 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.
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 | C20H15F3N2S2 |
| Molecular Weight | 404.47 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 | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- (S)-2-(3-(Benzyl(methyl)amino)piperidin-1-yl)acetic acid (CAS 1354017-08-5)
- 4-(Difluoromethyl)-6-methylpyridin-2-ol (CAS 1804688-20-7)
- 4H-Imidazo[4,5,-i,j]-quinolin-2,6-(1H,5H)dione (CAS 75655-10-6)
- Octane-1,3-diol (CAS 23433-05-8)
- 4-Fluoro-3-(p-tolyl)-1H-pyrazol-5-amine (CAS 1420660-49-6)
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- 1-(6-methylpyridin-3-yl)ethan-1-ol (CAS 100189-16-0)
- 1-(2-Chlorobenzyl)-1H-pyrazole-3-carboxylic acid (CAS 1309785-75-8)
- Cholecystokinin Octapeptide (1-5) (desulfated) (CAS 121880-96-4)
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