≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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.
| Sonrisas canónicas | C1C(C(=O)C2=CC=CC=C2S1)(CO)CO |
|---|---|
| IUPAC Name | 3,3-bis(hydroxymethyl)-2H-thiochromen-4-one |
| InChIKey | QDCSRSPNQICTRP-UHFFFAOYSA-N |
| INCHI | 1S/C11H12O3S/c12-5-11(6-13)7-15-9-4-2-1-3-8(9)10(11)14/h1-4,12-13H,5-7H2 |
| Isómeros SMILES | C1C(C(=O)C2=CC=CC=C2S1)(CO)CO |
| PubChem CID | 2764023 |
| Peso molecular | 224.28 |
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 | Organoheterocyclic compounds |
| Clase | Thiochromanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiochromanes |
| Alternative Parents | 1-benzothiopyrans Aryl alkyl ketones Alkylarylthioethers Vinylogous thioesters Thiopyrans Benzenoids Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thiochromane - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Aryl alkyl ketone - Aryl ketone - Alkylarylthioether - Vinylogous thioester - Benzenoid - Thiopyran - Ketone - Thioether - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thiochromanes. These are organic heterocyclic compounds containing a thiochromane moiety. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 142-145° |
|---|---|
| Peso molecular | 224.280 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 224.051 Da |
| Monoisotopic Mass | 224.051 Da |
| Topological Polar Surface Area | 82.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 250.000 |
| 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 |
