3-Methyl-6-thioxo-1,3,5-triazinane-2,4-dione CAS 59045-41-9
| CAS No. | 59045-41-9 |
| Molecular Formula | C4H5N3O2S |
| Molecular Weight | 159.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C4H5N3O2S, 3-Methyl-6-thioxo-1,3,5-triazinane-2,4-dione contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 159.17 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.
3-Methyl-6-thioxo-1,3,5-triazinane-2,4-dione (CAS 59045-41-9) is a high-purity analytical reference standard with the molecular formula C4H5N3O2S and a molecular weight of 159.17 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 3-Methyl-6-thioxo-1,3,5-triazinane-2,4-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 | C4H5N3O2S |
| Molecular Weight | 159.17 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) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1973 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Ethyl 2-(4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate (CAS 40277-49-4)
- (S)-2-((1-Benzylpiperidin-3-yl)oxy)acetic acid (CAS 1354008-83-5)
- 3-Amino-5-ethyl-5-methylimidazolidine-2,4-dione (CAS 1005-88-5)
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