≥98% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCC(=O)SC |
|---|---|
| IUPAC Name | S-methyl butanethioate |
| InChIKey | GRLJIIJNZJVMGP-UHFFFAOYSA-N |
| INCHI | 1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3 |
| Isomeric SMILES | CCCC(=O)SC |
| WGK Germany | 3 |
| UN Number | 1993 |
| Molecular Weight | 118.2 |
| Reaxy-Rn | 1848987 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1848987&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 | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acyl thioesters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acyl thioesters |
| Alternative Parents | Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acyl thioester - 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 - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acyl thioesters. These are thioester derivatives of a fatty acid with the general formula RC(=O)SR', where R is the fatty acyl chain. |
| 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 |
|---|---|---|---|
 H1227003 | Certificate of Analysis | Jan 26, 2026 | M102997 |
| J1726094 | Certificate of Analysis | Jun 16, 2025 | M102997 |
| H2422164 | Certificate of Analysis | Jun 18, 2024 | M102997 |
| H2422165 | Certificate of Analysis | Jun 18, 2024 | M102997 |
| H2421274 | Certificate of Analysis | Jun 18, 2024 | M102997 |
| H2422166 | Certificate of Analysis | Jun 18, 2024 | M102997 |
| H2422167 | Certificate of Analysis | Jun 18, 2024 | M102997 |
| Refractive Index | 142-143 °C |
|---|---|
| Flash Point(°F) | 93.2 °F |
| Flash Point(°C) | 34 °C |
| Boil Point(°C) | 142-143°C/757mmHg |
| Molecular Weight | 118.200 g/mol |
| XLogP3 | 1.500 |
| 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 |
| 1. Zhimin Wang, Mingming Huang, Mei Dai, Dandan Tian, Yingying Shi, Bin Wu, Zheng Zhang, Zunyang Song, Jingying Shi. (2025) Antifungal activity of s-methyl butanethioate against Botrytis cinerea, preparation of slow-release fresh-keeping card and its application to control gray mold of peach fruit. POSTHARVEST BIOLOGY AND TECHNOLOGY, [PMID:] [10.1016/j.postharvbio.2025.113791] |
