Sodium 7-(methylthio)-3-nitro-4-oxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-6-ide dihydrate CAS 928659-17-0
| CAS No. | 928659-17-0 |
| Molecular Formula | C5H3N6O3S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Sodium 7-(methylthio)-3-nitro-4-oxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-6-ide dihydrate is closely related to a carbohydrate-derived structure, an amide group, a sulfone group in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Sodium 7-(methylthio)-3-nitro-4-oxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-6-ide dihydrate (CAS 928659-17-0), molecular formula C5H3N6O3SNaH2O and molecular weight 268.18 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Sodium 7-(methylthio)-3-nitro-4-oxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-6-ide dihydrate (C5H3N6O3SNaH2O) contains a carbohydrate-derived structure, an amide group, a sulfone group. The molecule exhibits a degree of unsaturation (DBE) of 6.5, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 268.18 g/mol, it falls into the medium-molecular-weight range. 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.
As a certified reference material (CRM), Sodium 7-(methylthio)-3-nitro-4-oxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-6-ide dihydrate 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 | C5H3N6O3S Na 2*H2O |
| Molecular Weight | 268.18 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.5 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |
Related Sodium Standards
- 4-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidin-6-ol (CAS 100047-41-4)
- 2-(Methylthio)-N-(2-(4-nitrophenoxy)ethyl)thiazolo[4,5-d]pyrimidin-7-amine (CAS 1000574-56-0)
- 4-Methyl-3-(methylthio)-7-nitro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (CAS 1000575-87-0)
- 3-(Methylthio)-4-phenyl-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (CAS 1000577-38-7)
- 5-Methyl-2-(methylthio)pyrimidine (CAS 100114-24-7)
- 6-benzyl-2-(methylthio)pyrimidin-4(3H)-one (CAS 100142-46-9)
- 2-(Methylthio)-5,6-dihydropyrimidin-4(1H)-one (CAS 100185-53-3)
- 4-(methylthio)-6-(tributylstannyl)pyrimidine (CAS 1002719-56-3)
Recommended Standards
- 3-(bromomethyl)-4-nitrophenol (CAS 1261610-79-0)
- 1,1'-Bis[3-(trimethylammonio)propyl]-4,4'-bipyridinium Tetrachloride Dihydrate (CAS 108228-37-1)
- 2,2,5,5-tetramethylpiperidine hydrochloride (CAS 1909305-50-5)
- Anion Standard - Fluoride (CAS 16984-48-8)
- 5-Amino-4-cyano-1-(2,4-dimethylphenyl)-3-methylpyrazole (CAS 1072944-82-1)
- 3,3-Dimethyloctahydro-1H-indole (CAS 1427379-88-1)
- N-Cyclohexyl-2-(trifluoromethyl)aniline (CAS 1039836-64-0)
- (3-Bromo-2,5-dichlorophenyl)boronic acid (CAS 2121513-17-3)
- 1-bromo-2-pentyne (CAS 16400-32-1)
- Macrophage Inhibitory Peptide (CAS 41961-56-2)
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