(2S)-2,6-Diisothiocyanato-Hexanoic Acid Ethyl Ester CAS 92843-53-3
| CAS No. | 92843-53-3 |
| Molecular Formula | C10H14N2O2S2 |
| Molecular Weight | 258.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (2S)-2,6-Diisothiocyanato-Hexanoic Acid Ethyl Ester is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(2S)-2,6-Diisothiocyanato-Hexanoic Acid Ethyl Ester (CAS 92843-53-3), molecular formula C10H14N2O2S2 and molecular weight 258.36 g/mol, is a CATO reference standard with documented purity and traceability.
(2S)-2,6-Diisothiocyanato-Hexanoic Acid Ethyl Ester (C10H14N2O2S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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).
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), (2S)-2,6-Diisothiocyanato-Hexanoic Acid Ethyl Ester 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 | C10H14N2O2S2 |
| Molecular Weight | 258.36 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 |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1983 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Recommended Standards
- (1s,3s)-3-(phenylsulfanyl)cyclobutyl methanesulfonate (CAS 2059914-63-3)
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