≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
| ALogP | 2.6 |
|---|
| Canonical Smiles | CCS(=O)(=O)C1=CC=C(C=C1)C |
|---|---|
| IUPAC Name | 1-ethylsulfonyl-4-methylbenzene |
| InChIKey | XBZQMVYXYKDYPA-UHFFFAOYSA-N |
| INCHI | 1S/C9H12O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| Isomeric SMILES | CCS(=O)(=O)C1=CC=C(C=C1)C |
| PubChem CID | 97651 |
| Molecular Weight | 184.26 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tosyl compounds |
| Alternative Parents | Benzenesulfonyl compounds Sulfones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tosyl compound - Benzenesulfonyl group - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom). |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2522726 | Certificate of Analysis | Aug 19, 2025 | M695288 |
| J2522727 | Certificate of Analysis | Aug 19, 2025 | M695288 |
| J2522730 | Certificate of Analysis | Aug 19, 2025 | M695288 |
| J2522731 | Certificate of Analysis | Aug 19, 2025 | M695288 |
| Molecular Weight | 184.260 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 184.056 Da |
| Monoisotopic Mass | 184.056 Da |
| Topological Polar Surface Area | 42.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 217.000 |
| 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 |
