| Canonical Smiles | C1=CC(=CC=C1SC2=CC=C(S2)C=O)Cl |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)sulfanylthiophene-2-carbaldehyde |
| InChIKey | LUQJCKBNBFDXJC-UHFFFAOYSA-N |
| INCHI | 1S/C11H7ClOS2/c12-8-1-3-9(4-2-8)14-11-6-5-10(7-13)15-11/h1-7H |
| Isomeric SMILES | C1=CC(=CC=C1SC2=CC=C(S2)C=O)Cl |
| PubChem CID | 7062194 |
| Molecular Weight | 254.75 |
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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | Thiophenol ethers Chlorobenzenes Aryl-aldehydes 2,5-disubstituted thiophenes Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diarylthioether - Thiophenol ether - Chlorobenzene - Halobenzene - Aryl-aldehyde - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Organoheterocyclic compound - Sulfenyl compound - Aldehyde - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. |
| External Descriptors | Not available |
| Molecular Weight | 254.800 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 253.963 Da |
| Monoisotopic Mass | 253.963 Da |
| Topological Polar Surface Area | 70.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 217.000 |
| 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 |
![5-[(4-Chlorophenyl)sulfanyl]-2-thiophenecarbaldehyde - ≥97% , CAS No.139120-69-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)