≥95% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504754953 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754953 |
| Canonical Smiles | CCCCCC(=O)SC |
| IUPAC Name | S-methyl hexanethioate |
| InChIKey | AKGAHYLJHAOPKQ-UHFFFAOYSA-N |
| INCHI | 1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3 |
| Isomeric SMILES | CCCCCC(=O)SC |
| Molecular Weight | 146.25 |
| Reaxy-Rn | 1850439 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1850439&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 |
|---|---|---|---|
 B2419426 | Certificate of Analysis | Feb 01, 2024 | M478870 |
| B2419429 | Certificate of Analysis | Feb 01, 2024 | M478870 |
| B2419431 | Certificate of Analysis | Feb 01, 2024 | M478870 |
| B2419432 | Certificate of Analysis | Feb 01, 2024 | M478870 |
| E2625052 | Certificate of Analysis | Feb 01, 2024 | M478870 |
| Flash Point(°F) | Not applicable |
|---|---|
| Flash Point(°C) | Not applicable |
| Molecular Weight | 146.250 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 146.077 Da |
| Monoisotopic Mass | 146.077 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 81.000 |
| 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 |
| 1. Xinyi Sun, Ceyu Wang, Xingyu Long, Shumei Han, Wei Xu, Taolin Chen, Jianjun Liu, Beibei Wen, Meifeng Li. (2025) The impact of the unique two-stage bunch-drying on the formation of the floral aroma of Niangniang tea. Food Chemistry-X, [PMID:41438550] [10.1016/j.fochx.2025.103345] |
| 2. Shuge Yuan, Yahui Liu, Jinglin Yu, Ping Yang, Wei Yong, Zongxu Zhao, Tianyang Guo, Huanlu Song. (2025) Molecular sensory insights into odor activity and formation pathway of volatile compounds across roasting degrees in coffee beans. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2025.107712] |
