Ethyl 3-isothiocyanatobenzo[b]thiophene-2-carboxylate CAS 1334486-78-0
| CAS No. | 1334486-78-0 |
| Molecular Formula | C12H9NO2S2 |
| Molecular Weight | 263.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), Ethyl 3-isothiocyanatobenzo[b]thiophene-2-carboxylate 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.
Ethyl 3-isothiocyanatobenzo[b]thiophene-2-carboxylate (CAS 1334486-78-0), molecular formula C12H9NO2S2 and molecular weight 263.34 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C12H9NO2S2, Ethyl 3-isothiocyanatobenzo[b]thiophene-2-carboxylate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 263.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
Physical & Chemical Properties
| Molecular Formula | C12H9NO2S2 |
| Molecular Weight | 263.34 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Recommended Standards
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