≥85%(GC) 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 | CCOC(=O)CS(=O)C1=CC=CC=C1 |
|---|---|
| IUPAC Name | ethyl 2-(benzenesulfinyl)acetate |
| InChIKey | HVVJMTVECSPOGD-UHFFFAOYSA-N |
| INCHI | 1S/C10H12O3S/c1-2-13-10(11)8-14(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| Isomeric SMILES | CCOC(=O)CS(=O)C1=CC=CC=C1 |
| Molecular Weight | 212.26 |
| Reaxy-Rn | 2448199 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2448199&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 | Phenyl sulfoxides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyl sulfoxides |
| Alternative Parents | Sulfoxides Carboxylic acid esters Sulfinyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenyl sulfoxide - Sulfoxide - Carboxylic acid ester - Sulfinyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group. |
| External Descriptors | Not available |
| Sensitivity | Air Sensitive,Moisture Sensitive,Heat Sensitive |
|---|---|
| Refractive Index | 1.55 |
| Flash Point(°C) | 171 °C |
| Boil Point(°C) | 154°C/3mmHg(lit.) |
| Molecular Weight | 212.270 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 212.051 Da |
| Monoisotopic Mass | 212.051 Da |
| Topological Polar Surface Area | 62.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
