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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1C(C=CS1(=O)=O)O |
|---|---|
| IUPAC Name | 1,1-dioxo-2,3-dihydrothiophen-3-ol |
| InChIKey | UGEUCEAIWUTYIC-UHFFFAOYSA-N |
| INCHI | 1S/C4H6O3S/c5-4-1-2-8(6,7)3-4/h1-2,4-5H,3H2 |
| Molecular Weight | 134.160 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Dihydrothiophenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dihydrothiophenes |
| Alternative Parents | Sulfones Secondary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Sulfone - 2,3-dihydrothiophene - Secondary alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dihydrothiophenes. These are compounds containing a dihydrothiophene moiety, which is a thiophene derivative with only one double bond. |
| External Descriptors | Not available |
| Molecular Weight | 134.160 g/mol |
|---|---|
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 134.004 Da |
| Monoisotopic Mass | 134.004 Da |
| Topological Polar Surface Area | 62.800 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 196.000 |
| 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 |