8-Mercapto-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione CAS 331839-81-7
| CAS No. | 331839-81-7 |
| Molecular Formula | C9H10N4O3S |
| Molecular Weight | 254.27 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 8-Mercapto-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione.
8-Mercapto-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 331839-81-7), molecular formula C9H10N4O3S and molecular weight 254.27 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H10N4O3S, 8-Mercapto-3-methyl-7-(2-oxopropyl)-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; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 254.27 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 8-Mercapto-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H10N4O3S |
| Molecular Weight | 254.27 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 2-amino-5-chloro-6-nitro-3,4-dihydroquinazolin-4-one (CAS 103884-19-1)
- 4-(6-methoxy-2-oxo-chromen-7-yl)oxy-4-oxo-butanoic acid (CAS 2737330-67-3)
- 1-(Tert-butyl) 3-methyl (3S,4R)-4-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine-1,3-dicarboxylate (CAS 1228666-27-0)
- 2-(3-fluorooxetan-3-yl)ethan-1-ol (CAS 1123786-79-7)
- Methyl 3,4-dihydro-1h-spiro[naphthalene-2,2'-oxirane]-3'-carboxylate (CAS 1484117-96-5)
- N-(Cyclohex-1-en-1-yl)formamide (CAS 40652-40-2)
- N1,N4-bis(3-fluorobenzyl)cyclohexane-1,4-diamine (CAS 1353987-21-9)
- Semaglutide impurity 247 (CAS CATO-C4X-2226247)
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