≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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 | COCCCNS(=O)(=O)C1=C(C=C(S1)Cl)C(=O)CBr |
|---|---|
| IUPAC Name | 3-(2-bromoacetyl)-5-chloro-N-(3-methoxypropyl)thiophene-2-sulfonamide |
| InChIKey | HQCMFGKNJJPGIA-UHFFFAOYSA-N |
| INCHI | 1S/C10H13BrClNO4S2/c1-17-4-2-3-13-19(15,16)10-7(8(14)6-11)5-9(12)18-10/h5,13H,2-4,6H2,1H3 |
| Isomeric SMILES | COCCCNS(=O)(=O)C1=C(C=C(S1)Cl)C(=O)CBr |
| PubChem CID | 53434944 |
| Molecular Weight | 390.71 |
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 Organosulfonamides Aryl chlorides Heteroaromatic compounds Aminosulfonyl compounds Alpha-haloketones Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,3,5-trisubstituted thiophene - Aryl alkyl ketone - Aryl chloride - Aryl halide - Organosulfonic acid amide - Alpha-haloketone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - Heteroaromatic compound - Dialkyl ether - Organoheterocyclic compound - Ether - Organopnictogen compound - Alkyl halide - Organosulfur compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Alkyl bromide - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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 |
| Molecular Weight | 390.700 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 388.916 Da |
| Monoisotopic Mass | 388.916 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 401.000 |
| 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 |
