| Sonrisas canónicas | CC(C(=O)O)SC |
|---|---|
| IUPAC Name | 2-methylsulfanylpropanoic acid |
| InChIKey | SBJPKUSFMZKDRZ-UHFFFAOYSA-N |
| INCHI | 1S/C4H8O2S/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6) |
| Isómeros SMILES | CC(C(=O)O)SC |
| PubChem CID | 100851 |
| Peso molecular | 120.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Clase | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acids and conjugates |
| Alternative Parents | Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as fatty acids and conjugates. These are aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms). |
| External Descriptors | Not available |
| Peso molecular | 120.170 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 120.025 Da |
| Monoisotopic Mass | 120.025 Da |
| Topological Polar Surface Area | 62.600 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 72.100 |
| 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 |
