| Sonrisas canónicas | C1CSC(=O)O1 |
|---|---|
| IUPAC Name | 1,3-oxathiolan-2-one |
| InChIKey | DAJDXKBYZZGECL-UHFFFAOYSA-N |
| INCHI | 1S/C3H4O2S/c4-3-5-1-2-6-3/h1-2H2 |
| Isómeros SMILES | C1CSC(=O)O1 |
| PubChem CID | 72822 |
| Peso molecular | 104.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Oxathiolanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxathiolanes |
| Alternative Parents | Monothioacetals Organic thiocarbonic acid derivatives Organic carbonic acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Oxathiolane - Monothioacetal - Thiocarbonic acid derivative - Carbonic acid derivative - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as oxathiolanes. These are compounds containing an oxathiolane moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, a sulfur atom, and three carbon atoms. Isomers of oxaphospholane include meta-oxathiolane, and ortho-oxathiolane. |
| External Descriptors | Not available |
| Peso molecular | 104.130 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 103.993 Da |
| Monoisotopic Mass | 103.993 Da |
| Topological Polar Surface Area | 51.600 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 71.200 |
| 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 |
