≥98%(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.
| Pubchem Sid | 504753764 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753764 |
| Canonical Smiles | CCCSC(=O)C |
| IUPAC Name | S-propyl ethanethioate |
| InChIKey | SBWFWBJCYMBZEY-UHFFFAOYSA-N |
| INCHI | 1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3 |
| Isomeric SMILES | CCCSC(=O)C |
| PubChem CID | 61295 |
| Molecular Weight | 118.19 |
| Beilstein | 2(4)544 |
| Reaxy-Rn | 1740765 |
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 | Organic acids and derivatives |
| Class | Thiocarboxylic acids and derivatives |
| Subclass | Thioesters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thioesters |
| Alternative Parents | Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carbothioic s-ester - Thiocarboxylic acid ester - Sulfenyl compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as thioesters. These are organic compounds containing an ester of thiocarboxylic acid, with the general structure RC(=S)XR' (R=H, alkyl, aryl; R'=alkyl, aryl; X=O,S). |
| External Descriptors | Not available |
| Refractive Index | 1.4570-1.4610 |
|---|---|
| Flash Point(°C) | 36 °C |
| Boil Point(°C) | 137 °C |
| Molecular Weight | 118.200 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 118.045 Da |
| Monoisotopic Mass | 118.045 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 61.100 |
| 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 |
D1903169