≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
Maximum Absorption Wavelength:231(UVSOLV_EtOH)nm
| Pubchem Sid | 488190111 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190111 |
| Canonical Smiles | CCC(=O)SC |
| IUPAC Name | S-methyl propanethioate |
| InChIKey | AIILTVHCLAEMDA-UHFFFAOYSA-N |
| INCHI | 1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3 |
| Isomeric SMILES | CCC(=O)SC |
| PubChem CID | 521869 |
| UN Number | 1993 |
| Packing Group | II |
| Molecular Weight | 104.17 |
| Reaxy-Rn | 1737629 |
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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2619192 | Certificate of Analysis | May 27, 2026 | S404755 |
| B2324815 | Certificate of Analysis | Dec 22, 2025 | S404755 |
| B2324787 | Certificate of Analysis | Dec 22, 2025 | S404755 |
| B2324786 | Certificate of Analysis | Dec 22, 2025 | S404755 |
| B2324785 | Certificate of Analysis | Dec 22, 2025 | S404755 |
| B23241183 | Certificate of Analysis | Dec 22, 2025 | S404755 |
| B23241182 | Certificate of Analysis | Dec 22, 2025 | S404755 |
| Refractive Index | 1.46 |
|---|---|
| Flash Point(°C) | 22 °C |
| Boil Point(°C) | 119 °C |
| Molecular Weight | 104.170 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 104.03 Da |
| Monoisotopic Mass | 104.03 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 51.500 |
| 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 |
