| Pubchem Sid | 504753825 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753825 |
| Sonrisas canónicas | CCC(C(=O)C)S |
| IUPAC Name | 3-sulfanylpentan-2-one |
| InChIKey | SZECUQRKLXRGSJ-UHFFFAOYSA-N |
| INCHI | 1S/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3 |
| Isómeros SMILES | CCC(C(=O)C)S |
| Número ONU | 3336 |
| Peso molecular | 118.19 |
| Reaxy-Rn | 1902153 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902153&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 oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ketones |
| Alternative Parents | Alkylthiols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Ketone - Alkylthiol - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 K2507484 | Certificate of Analysis | Aug 20, 2025 | M102973 |
| K2507493 | Certificate of Analysis | Aug 20, 2025 | M102973 |
| K2507495 | Certificate of Analysis | Aug 20, 2025 | M102973 |
| K2507508 | Certificate of Analysis | Aug 20, 2025 | M102973 |
| I2525678 | Certificate of Analysis | Aug 08, 2025 | M102973 |
| C2525556 | Certificate of Analysis | Apr 11, 2025 | M102973 |
| C2525557 | Certificate of Analysis | Apr 11, 2025 | M102973 |
| D2508809 | Certificate of Analysis | Apr 11, 2025 | M102973 |
| L2406053 | Certificate of Analysis | Dec 12, 2024 | M102973 |
| F2125144 | Certificate of Analysis | Apr 13, 2023 | M102973 |
| F2125145 | Certificate of Analysis | Apr 13, 2023 | M102973 |
| F2125149 | Certificate of Analysis | Apr 13, 2023 | M102973 |
| F2125155 | Certificate of Analysis | Apr 13, 2023 | M102973 |
| L2417382 | Certificate of Analysis | Apr 13, 2023 | M102973 |
| Sensibilidad | light sensitive |
|---|---|
| Índice de refracción | 1.47 |
| Punto de inflamación (°C) | 49 °C |
| Punto de ebullición (°C) | 52°C |
| Peso molecular | 118.200 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 118.045 Da |
| Monoisotopic Mass | 118.045 Da |
| Topological Polar Surface Area | 18.100 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 70.500 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
