(5Z)-5-[(3-Bromophenyl)methylidene]-4H,5H,6H-thieno[2,3-b]thiopyran-4-one CAS 478247-00-6
| CAS No. | 478247-00-6 |
| Molecular Formula | C14H9BrOS2 |
| Molecular Weight | 337.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), (5Z)-5-[(3-Bromophenyl)methylidene]-4H,5H,6H-thieno[2,3-b]thiopyran-4-one 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.
(5Z)-5-[(3-Bromophenyl)methylidene]-4H,5H,6H-thieno[2,3-b]thiopyran-4-one (CAS 478247-00-6) is a high-purity analytical reference standard with the molecular formula C14H9BrOS2 and a molecular weight of 337.25 g/mol.
The molecular framework of (5Z)-5-[(3-Bromophenyl)methylidene]-4H,5H,6H-thieno[2,3-b]thiopyran-4-one (C14H9BrOS2) is characterized by sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution, a polycyclic aromatic system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
Physical & Chemical Properties
| Molecular Formula | C14H9BrOS2 |
| Molecular Weight | 337.25 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 2-(3-Bromophenyl)-N-(piperidin-4-yl)acetamide hydrochloride (CAS 1838897-78-1)
- 4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]morpholine (CAS 173850-36-7)
- Ethyl 2-(2,6-dibromo-4-formylphenoxy)acetate (CAS 231306-75-5)
- cis-2-(3-Fluorobenzoyl)cyclohexane-1-carboxylic acid (CAS 733742-66-0)
- 1-(2-(Diethylamino)ethyl)-1h-pyrazol-3-amine (CAS 1177291-96-1)
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- (±)-PMMA-d3 hydrochloride (methyl-d3) (CAS 1795033-58-7)
- Semaglutide Impurity 12 (CAS CATO-C4X-222612)
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