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Basic Description
| Synonyms | EINECS 261-601-3 | Ethyl thiolacetate | InChI=1/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H | S-Ethyl thioacetate | Acetic acid, thio-, ethyl ester | Thioacetic acid, ethyl ester | Thioethyl compound | 6E715F929W | AKOS015950880 | E0708 | Thioacetic Acid S-Ethyl Ester |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
| Product Description |
Ethyl thioacetate is a volatile sulfur compound that is reported to occur in durian fruit and wine.
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Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Thiocarboxylic acids and derivatives
- Subclass Thioesters
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Class
Thiocarboxylic acids and derivatives
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Superclass
Organic acids and derivatives
| 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 |
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Names and Identifiers
| Pubchem Sid | 488183451 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183451 |
| IUPAC Name | S-ethyl ethanethioate |
| INCHI | InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3 |
| InChIKey | APTGPWJUOYMUCE-UHFFFAOYSA-N |
| Smiles | CCSC(=O)C |
| Isomeric SMILES | CCSC(=O)C |
| WGK Germany | 3 |
| UN Number | 1993 |
| Molecular Weight | 104.17 |
| Beilstein | 2(4)543 |
| Reaxy-Rn | 1737643 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737643&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E1725103 |
Certificate of Analysis | Jan 20, 2025 | E107950 |
| H2405192 |
Certificate of Analysis | Jul 22, 2024 | E107950 |
| H2405193 |
Certificate of Analysis | Jul 22, 2024 | E107950 |
| E2521323 |
Certificate of Analysis | Jul 10, 2024 | E107950 |
| E2521319 |
Certificate of Analysis | Jul 10, 2024 | E107950 |
| E2521320 |
Certificate of Analysis | Jul 10, 2024 | E107950 |
| E2521321 |
Certificate of Analysis | Jul 10, 2024 | E107950 |
| C2325932 |
Certificate of Analysis | Feb 14, 2023 | E107950 |
| C2325933 |
Certificate of Analysis | Feb 14, 2023 | E107950 |
| C2325934 |
Certificate of Analysis | Feb 14, 2023 | E107950 |
| C2325880 |
Certificate of Analysis | Feb 14, 2023 | E107950 |
| C2325931 |
Certificate of Analysis | Feb 14, 2023 | E107950 |
| C2325876 |
Certificate of Analysis | Feb 14, 2023 | E107950 |
| B2317762 |
Certificate of Analysis | Jan 04, 2023 | E107950 |
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Chemical and Physical Properties
| Refractive Index | 1.458 |
|---|---|
| Flash Point(°F) | 64.4 °F |
| Flash Point(°C) | 18°C |
| Boil Point(°C) | 116°C |
| Molecular Weight | 104.170 g/mol |
| XLogP3 | 1.000 |
| 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 |
Citations of This Product
| 1. Nan Jiang, Hongyan Liu, Guodong Zhao, Heyi Li, Shuo Yang, Xianlin Xu, Xupin Zhuang, Bowen Cheng. (2023) Aramid nanofibers supported metal-organic framework aerogel for protection of chemical warfare agent. JOURNAL OF COLLOID AND INTERFACE SCIENCE, 640 (192). |
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