2-(methylthio)-6,6a,7,8,9,9a-hexahydro-5H-pyrimido[5,4-f]pyrrolo[3,4-b][1,4]oxazepin-5-one bis(trifluoroacetate) CAS 1243104-50-8
| CAS No. | 1243104-50-8 |
| Molecular Formula | C10H12N4O2S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 366.31 g/mol gives 2-(methylthio)-6,6a,7,8,9,9a-hexahydro-5H-pyrimido[5,4-f]pyrrolo[3,4-b][1,4]oxazepin-5-one bis(trifluoroacetate) distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 2-(methylthio)-6,6a,7,8,9,9a-hexahydro-5H-pyrimido[5,4-f]pyrrolo[3,4-b][1,4]oxazepin-5-one bis(trifluoroacetate) (CAS 1243104-50-8), a certified reference material (molecular formula C10H12N4O2SC2HF3O2, MW 366.31 g/mol) for analytical method development and quality control.
2-(methylthio)-6,6a,7,8,9,9a-hexahydro-5H-pyrimido[5,4-f]pyrrolo[3,4-b][1,4]oxazepin-5-one bis(trifluoroacetate) (C10H12N4O2SC2HF3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, 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.
CATO manufactures 2-(methylthio)-6,6a,7,8,9,9a-hexahydro-5H-pyrimido[5,4-f]pyrrolo[3,4-b][1,4]oxazepin-5-one bis(trifluoroacetate) 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 | C10H12N4O2S 2*C2HF3O2 |
| Molecular Weight | 366.31 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related methylthio 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-Chloro-5-(methylcarbamoyl)phenyl)boronic acid (CAS 957120-51-3)
- 5-(1-Methyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-amine (CAS 1204297-14-2)
- N-(3-Ethoxy-4-methoxybenzyl)cyclopentanamine hydrobromide (CAS 1609400-11-4)
- 2-Chloro-1,3,2-dioxaphospholane (CAS 822-39-9)
- 3-(Dibutylamino)propyl acrylate (CAS 6288-21-7)
- Rel-((1R,2S)-2-(trifluoromethyl)cyclohexyl)methanamine (CAS 1807888-04-5)
- Gramine-α,α-d2 (CAS 95415-84-2)
- 4-(1-Ethyl-1h-1,2,4-triazol-5-yl)-1h-pyrazol-5-amine (CAS 2092579-19-4)
- 4694-80-8 4,5-Dihydro-2-propyloxazole EINECS 225-156-9 (CAS 4694-80-8)
- Anti-Inflammatory Peptide 2 (CAS 118850-72-9)
Why CATO?
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