≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged 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.
| Canonical Smiles | C1C2=CC=CC=C2C(=O)S1 |
|---|---|
| IUPAC Name | 3H-2-benzothiophen-1-one |
| InChIKey | NSSBUSDEHNCUIY-UHFFFAOYSA-N |
| INCHI | 1S/C8H6OS/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2 |
| Isomeric SMILES | C1C2=CC=CC=C2C(=O)S1 |
| PubChem CID | 818016 |
| Molecular Weight | 150.2 |
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 | Benzenoids |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenoids |
| Alternative Parents | Carbothioic S-lactones Thioesters Organoheterocyclic compounds Carboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenoid - Carbothioic s-lactone - Thiocarboxylic acid ester - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 150.200 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 150.014 Da |
| Monoisotopic Mass | 150.014 Da |
| Topological Polar Surface Area | 42.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 155.000 |
| 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 |
![Benzo[c]thiophen-1(3H)-one - ≥90% CAS No(1194-57-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/7/B736280.jpg)