1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile CAS 70638-54-9
| CAS No. | 70638-54-9 |
| Molecular Formula | C12H9N3O2S |
| Molecular Weight | 259.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile.
1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile (CAS 70638-54-9) is a high-purity analytical reference standard with the molecular formula C12H9N3O2S and a molecular weight of 259.28 g/mol.
1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile (C12H9N3O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C12H9N3O2S |
| Molecular Weight | 259.28 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1977 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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