| Pubchem Sid | 504752859 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752859 |
| Canonical Smiles | COC(=O)CCS |
| IUPAC Name | methyl 3-sulfanylpropanoate |
| InChIKey | LDTLDBDUBGAEDT-UHFFFAOYSA-N |
| INCHI | 1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3 |
| Isomeric SMILES | COC(=O)CCS |
| WGK Germany | 3 |
| RTECS | UA2465980 |
| UN Number | 1993 |
| Molecular Weight | 120.17 |
| Beilstein | 1742952 |
| Reaxy-Rn | 1742952 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742952&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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid esters |
| Direct Parent | Methyl esters |
| Alternative Parents | Monocarboxylic acids and derivatives Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Methyl ester - Monocarboxylic acid or derivatives - Alkylthiol - 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 methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group. |
| 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 |
|---|---|---|---|
 C2605002 | Certificate of Analysis | Mar 12, 2026 | M107600 |
| J2009573 | Certificate of Analysis | Feb 05, 2026 | M107600 |
| B2505141 | Certificate of Analysis | Feb 07, 2025 | M107600 |
| E2513048 | Certificate of Analysis | Feb 07, 2025 | M107600 |
| J2128514 | Certificate of Analysis | Aug 01, 2023 | M107600 |
| J2128515 | Certificate of Analysis | Aug 01, 2023 | M107600 |
| J2128516 | Certificate of Analysis | Aug 01, 2023 | M107600 |
| J2128517 | Certificate of Analysis | Aug 01, 2023 | M107600 |
| J2009572 | Certificate of Analysis | Aug 11, 2022 | M107600 |
| E1726051 | Certificate of Analysis | Jan 21, 2022 | M107600 |
| C2314287 | Certificate of Analysis | May 07, 2021 | M107600 |
| Solubility | Soluble in water. |
|---|---|
| Refractive Index | 1.464 |
| Flash Point(°F) | 60 °C |
| Flash Point(°C) | 60°C |
| Boil Point(°C) | 54-55°C |
| Molecular Weight | 120.170 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 120.025 Da |
| Monoisotopic Mass | 120.025 Da |
| Topological Polar Surface Area | 27.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 62.700 |
| 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 |
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