8-Bromo-3-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocine-4-thione CAS 946213-08-7
| CAS No. | 946213-08-7 |
| Molecular Formula | C13H15BrN2OS |
| Molecular Weight | 327.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
8-Bromo-3-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocine-4-thione (CAS 946213-08-7) is a high-purity analytical reference standard with the molecular formula C13H15BrN2OS and a molecular weight of 327.24 g/mol.
Structurally, 8-Bromo-3-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocine-4-thione (C13H15BrN2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution. 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 327.24 g/mol, it falls into the moderately-high-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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 8-Bromo-3-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocine-4-thione 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 | C13H15BrN2OS |
| Molecular Weight | 327.24 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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