≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Conservar a 2-8°C Ships Hielo húmedo 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 | 504752475 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752475 |
| Sonrisas canónicas | CC(=O)SC1=CC=CC=C1 |
| IUPAC Name | S-phenyl ethanethioate |
| InChIKey | WBISVCLTLBMTDS-UHFFFAOYSA-N |
| INCHI | 1S/C8H8OS/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3 |
| Isómeros SMILES | CC(=O)SC1=CC=CC=C1 |
| WGK Alemania | 2 |
| RTECS | AJ7559000 |
| Peso molecular | 152.21 |
| Reaxy-Rn | 1858641 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1858641&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 |
| Clase | Thiophenol esters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophenol esters |
| Alternative Parents | Aryl thioethers Benzene and substituted derivatives Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Thiophenol ester - Aryl thioether - Monocyclic benzene moiety - Carbothioic s-ester - Thiocarboxylic acid ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thiophenol esters. These are thioester derivatives of thiophenols. Thiophenol is a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom. |
| External Descriptors | Not available |
| Índice de refracción | 1.57 |
|---|---|
| Punto de inflamación (°F) | 174.2 °F |
| Punto de inflamación (°C) | 79 °C |
| Punto de ebullición (°C) | 99-100°C/6mmHg |
| Peso molecular | 152.220 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 152.03 Da |
| Monoisotopic Mass | 152.03 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 116.000 |
| 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 |
F2220506