5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentyl 4-methylbenzenesulfonate CAS 69705-14-2
| CAS No. | 69705-14-2 |
| Molecular Formula | C10H16N2O3S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentyl 4-methylbenzenesulfonate (CAS 69705-14-2), molecular formula C10H16N2O3SC7H8O3S and molecular weight 416.51 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentyl 4-methylbenzenesulfonate (C10H16N2O3SC7H8O3S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 416.51 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C10H16N2O3S C7H8O3S |
| Molecular Weight | 416.51 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 |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1976 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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- Ethyl 2-(2,6-dichlorophenyl)ethanimidate hydrochloride (CAS 77831-48-2)
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- 2-(Tert-butoxycarbonyl)-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid (CAS 2306272-29-5)
- Methyl 5-chloro-2,6-dimethylpyrimidine-4-carboxylate (CAS 1823919-67-0)
- (3-(4-(Trifluoromethyl)phenyl)isoxazol-5-yl)methanol (CAS 206055-88-1)
- Antifreeze Polypeptide 6 (winter flounder) trifluoroacetate salt (CAS 122604-16-4)
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