9-Methyl-2-((3-methylbenzyl)thio)-5H-thiochromeno[4,3-d]pyrimidine CAS 478246-86-5
| CAS No. | 478246-86-5 |
| Molecular Formula | C20H18N2S2 |
| Molecular Weight | 350.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 9-Methyl-2-((3-methylbenzyl)thio)-5H-thiochromeno[4,3-d]pyrimidine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 9-Methyl-2-((3-methylbenzyl)thio)-5H-thiochromeno[4,3-d]pyrimidine (CAS 478246-86-5), a certified reference material (molecular formula C20H18N2S2, MW 350.50 g/mol) for analytical method development and quality control.
The molecular framework of 9-Methyl-2-((3-methylbenzyl)thio)-5H-thiochromeno[4,3-d]pyrimidine (C20H18N2S2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
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.
Physical & Chemical Properties
| Molecular Formula | C20H18N2S2 |
| Molecular Weight | 350.50 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | 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 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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