7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione CAS 476482-01-6
| CAS No. | 476482-01-6 |
| Molecular Formula | C16H14BrN5O2S2 |
| Molecular Weight | 452.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 476482-01-6) is a high-purity analytical reference standard with the molecular formula C16H14BrN5O2S2 and a molecular weight of 452.35 g/mol.
Based on its molecular formula C16H14BrN5O2S2, 7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 452.35 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 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.
Physical & Chemical Properties
| Molecular Formula | C16H14BrN5O2S2 |
| Molecular Weight | 452.35 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 5-(2,4-Difluorophenyl)-1,3,4-oxadiazol-2-ol (CAS 1341663-05-5)
- (3Z,5Z)-Octa-3,5-dien-1-ol (CAS 10160-16-4)
- Lumateperone Impurity 2 (CAS 1576240-15-7)
- Insulin Pork(≥27 USP units/mg) (CAS 12584-58-6)
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