Ethyl 3-(allylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate CAS 172516-32-4
| CAS No. | 172516-32-4 |
| Molecular Formula | C14H16O3S2 |
| Molecular Weight | 296.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C14H16O3S2, Ethyl 3-(allylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, a polycyclic aromatic system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 296.41 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Ethyl 3-(allylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate (CAS 172516-32-4) is a high-purity analytical reference standard with the molecular formula C14H16O3S2 and a molecular weight of 296.41 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C14H16O3S2 |
| Molecular Weight | 296.41 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2006 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 3-Iodo-2-methylphenol (CAS 116529-75-0)
- GNE 371 (CAS 1926986-36-8)
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- Boc-(R)-4-amino-5-phenylpentanoic acid (CAS 195867-20-0)
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- Mast Cell Degranulating (MCD) Peptide HR-2 (CAS 80388-04-1)
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