2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9-methyl-5H-thiochromeno[4,3-d]pyrimidine CAS 478246-94-5
| CAS No. | 478246-94-5 |
| Molecular Formula | C19H14ClFN2S2 |
| Molecular Weight | 388.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9-methyl-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.
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9-methyl-5H-thiochromeno[4,3-d]pyrimidine (CAS 478246-94-5), molecular formula C19H14ClFN2S2 and molecular weight 388.91 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9-methyl-5H-thiochromeno[4,3-d]pyrimidine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 388.91 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C19H14ClFN2S2 |
| Molecular Weight | 388.91 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- Prochlorperazine Impurity 6 (CAS CATO-C4X-19666)
- 1-(2,4,6-Tribromophenyl)thiourea (CAS 5337-47-3)
- 6-Methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4(3H)-one (CAS 264208-69-7)
- 4-(Aminomethyl)-3-chloropyridin-2-amine (CAS 1393560-31-0)
- 1-(Isopropoxy(p-tolyl)methyl)-1H-benzo[d][1,2,3]triazole (CAS 172611-15-3)
- Ruthenium trichloride (CAS 10049-08-8)
- 2-Isopropoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CAS 1451391-04-0)
- (3AS,4S,6S,6aR)-6-(2-((tert-butyldimethylsilyl)oxy)propan-2-yl)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-ol (CAS 1638744-78-1)
- 6-Chloro-9-isopropyl-8-(trifluoromethyl)-9H-purine (CAS 1774904-72-1)
- 2,4'-Dichloro-5-methyl-[1,1'-biphenyl]-4-carbaldehyde (CAS 2586126-36-3)
- 1-(Pyridin-2-yl)hexan-1-one (CAS 42203-03-2)
- Insulin Degludec Impurity 20 (CAS CATO-C4X-215720)
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