≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| ALogP | 3.9 |
|---|
| Canonical Smiles | C1C2=CC=CC=C2SC3=CC=CC=C31 |
|---|---|
| IUPAC Name | 9H-thioxanthene |
| InChIKey | PQJUJGAVDBINPI-UHFFFAOYSA-N |
| INCHI | 1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2 |
| Isomeric SMILES | C1C2=CC=CC=C2SC3=CC=CC=C31 |
| PubChem CID | 67495 |
| Molecular Weight | 198.29 |
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 |
| Class | Benzothiopyrans |
| Subclass | 1-benzothiopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thioxanthenes |
| Alternative Parents | Diarylthioethers Benzenoids Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thioxanthene - Diarylthioether - Aryl thioether - Benzenoid - Thioether - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom. |
| External Descriptors | thioxanthene |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 198.290 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 198.05 Da |
| Monoisotopic Mass | 198.05 Da |
| Topological Polar Surface Area | 25.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 181.000 |
| 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 |
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