≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(SC(=C1)C(=O)C)Br |
|---|---|
| IUPAC Name | 1-(5-bromo-4-methylthiophen-2-yl)ethanone |
| InChIKey | KQZYEQHMHCHZKP-UHFFFAOYSA-N |
| INCHI | 1S/C7H7BrOS/c1-4-3-6(5(2)9)10-7(4)8/h3H,1-2H3 |
| Isomeric SMILES | CC1=C(SC(=C1)C(=O)C)Br |
| Alternate CAS | 859199-06-7 |
| Molecular Weight | 219.10 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones |
| Direct Parent | Aryl alkyl ketones |
| Alternative Parents | 2,3,5-trisubstituted thiophenes Aryl bromides Heteroaromatic compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - 2,3,5-trisubstituted thiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2607289 | Certificate of Analysis | Mar 23, 2026 | E732516 |
| D2607342 | Certificate of Analysis | Mar 23, 2026 | E732516 |
| D2607343 | Certificate of Analysis | Mar 23, 2026 | E732516 |
| D2607344 | Certificate of Analysis | Mar 23, 2026 | E732516 |
| D2607345 | Certificate of Analysis | Mar 23, 2026 | E732516 |
| Molecular Weight | 219.100 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 217.94 Da |
| Monoisotopic Mass | 217.94 Da |
| Topological Polar Surface Area | 45.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 149.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
