≥97% 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 | C1=CC(=CC=C1CS(=O)(=O)CC(=S)N)F |
|---|---|
| IUPAC Name | 2-[(4-fluorophenyl)methylsulfonyl]ethanethioamide |
| InChIKey | AXJXBGORVIHNEY-UHFFFAOYSA-N |
| INCHI | 1S/C9H10FNO2S2/c10-8-3-1-7(2-4-8)5-15(12,13)6-9(11)14/h1-4H,5-6H2,(H2,11,14) |
| Isomeric SMILES | C1=CC(=CC=C1CS(=O)(=O)CC(=S)N)F |
| PubChem CID | 2781866 |
| Molecular Weight | 247.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Aryl fluorides Thioamides Sulfones Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Fluorobenzene - Aryl fluoride - Aryl halide - Sulfone - Sulfonyl - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Thiocarbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 247.300 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 247.014 Da |
| Monoisotopic Mass | 247.014 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 315.000 |
| 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 |
![2-[[(4-Fluorophenyl)methyl]sulfonyl]ethanethioamide - ≥97% , CAS No.175276-88-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)