Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC)(T) 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.
| Pubchem Sid | 488198861 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488198861 |
| Canonical Smiles | CC(=O)C1=C(SC(=C1)Cl)S(=O)(=O)N |
| IUPAC Name | 3-acetyl-5-chlorothiophene-2-sulfonamide |
| InChIKey | ODLFFSHLXVZFPY-UHFFFAOYSA-N |
| INCHI | 1S/C6H6ClNO3S2/c1-3(9)4-2-5(7)12-6(4)13(8,10)11/h2H,1H3,(H2,8,10,11) |
| Isomeric SMILES | CC(=O)C1=C(SC(=C1)Cl)S(=O)(=O)N |
| Molecular Weight | 239.69 |
| Reaxy-Rn | 13565306 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13565306&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 Organochlorides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,3,5-trisubstituted thiophene - Aryl alkyl ketone - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - Heteroaromatic compound - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organosulfur 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 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 182 °C(dec.) |
| Molecular Weight | 239.700 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 238.948 Da |
| Monoisotopic Mass | 238.948 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 310.000 |
| 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 |