≥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.
| Canonical Smiles | C1CS(=O)(=O)C2=C(C1=O)C=C(C=C2)Br |
|---|---|
| IUPAC Name | 6-bromo-1,1-dioxo-2,3-dihydrothiochromen-4-one |
| InChIKey | ZIDGASJWZBLPDL-UHFFFAOYSA-N |
| INCHI | 1S/C9H7BrO3S/c10-6-1-2-9-7(5-6)8(11)3-4-14(9,12)13/h1-2,5H,3-4H2 |
| Isomeric SMILES | C1CS(=O)(=O)C2=C(C1=O)C=C(C=C2)Br |
| PubChem CID | 43167539 |
| Molecular Weight | 275.11 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiochromanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiochromanes |
| Alternative Parents | 1-benzothiopyrans Aryl alkyl ketones Thiopyrans Benzenoids Aryl bromides Sulfones Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thiochromane - 1-benzothiopyran - Benzothiopyran - Aryl alkyl ketone - Aryl ketone - Aryl bromide - Aryl halide - Benzenoid - Thiopyran - Sulfone - Ketone - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 275.120 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 273.93 Da |
| Monoisotopic Mass | 273.93 Da |
| Topological Polar Surface Area | 59.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 344.000 |
| 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 |
