3-((3-Fluorobenzyl)thio)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide CAS 896686-02-5
| CAS No. | 896686-02-5 |
| Molecular Formula | C14H11FN2O2S2 |
| Molecular Weight | 322.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-((3-Fluorobenzyl)thio)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (CAS 896686-02-5), molecular formula C14H11FN2O2S2 and molecular weight 322.38 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-((3-Fluorobenzyl)thio)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (C14H11FN2O2S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 322.38 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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), 3-((3-Fluorobenzyl)thio)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide 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 | C14H11FN2O2S2 |
| Molecular Weight | 322.38 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Fluorobenzyl Standards
- 3-((4-Fluorobenzyl)thio)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (CAS 896686-81-0)
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- N-(4-fluorobenzyl)-4-methyl-2-(4-methylpiperazin-1-yl)pentanamide (CAS 1922854-05-4)
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- Boc-α-(4-fluorobenzyl)-DL-Pro-OH (CAS 351002-78-3)
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- Anion Standard - Citrate (CAS 126-44-3)
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- Semaglutide impurity 268 (CAS CATO-C4X-2226268)
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