Determine the necessary mass, volume, or concentration for preparing a solution.
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≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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=C(C=C1)CS(=O)CC2=CC=CC=C2 |
|---|---|
| IUPAC Name | benzylsulfinylmethylbenzene |
| InChIKey | HTMQZWFSTJVJEQ-UHFFFAOYSA-N |
| INCHI | 1S/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2 |
| Isomeric SMILES | C1=CC=C(C=C1)CS(=O)CC2=CC=CC=C2 |
| RTECS | DA9275000 |
| Molecular Weight | 230.33 |
| Beilstein | 6456 |
| Reaxy-Rn | 2049262 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049262&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyl sulfoxides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl alkyl sulfoxides |
| Alternative Parents | Sulfoxides Sulfinyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl alkyl sulfoxide - Sulfoxide - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl alkyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group, and an alkyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=alkyl). |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Oct 29, 2025 | D155299 | |
| Certificate of Analysis | Oct 29, 2025 | D155299 | |
| Certificate of Analysis | Oct 29, 2025 | D155299 | |
| Certificate of Analysis | Sep 06, 2023 | D155299 | |
| Certificate of Analysis | Dec 23, 2021 | D155299 | |
| Certificate of Analysis | Dec 23, 2021 | D155299 |
| Solubility | Soluble in Methanol,dichloromethane,Chloroform |
|---|---|
| Sensitivity | Moisture sensitive |
| Melt Point(°C) | 133 °C |
| Molecular Weight | 230.330 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 230.077 Da |
| Monoisotopic Mass | 230.077 Da |
| Topological Polar Surface Area | 36.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |