≥97% 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 | CN1C2=CC=CC=C2C(=C1SC3=CC=CC=C3Cl)C=O |
|---|---|
| IUPAC Name | 2-(2-chlorophenyl)sulfanyl-1-methylindole-3-carbaldehyde |
| InChIKey | MGZXUABYVOFCOV-UHFFFAOYSA-N |
| INCHI | 1S/C16H12ClNOS/c1-18-14-8-4-2-6-11(14)12(10-19)16(18)20-15-9-5-3-7-13(15)17/h2-10H,1H3 |
| Isomeric SMILES | CN1C2=CC=CC=C2C(=C1SC3=CC=CC=C3Cl)C=O |
| PubChem CID | 2763799 |
| Molecular Weight | 301.79 |
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 | N-alkylindoles Indoles Thiophenol ethers Aryl-aldehydes Chlorobenzenes Vinylogous thioesters Aryl chlorides N-methylpyrroles Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organochlorides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diarylthioether - N-alkylindole - Indole - Indole or derivatives - Thiophenol ether - Chlorobenzene - Halobenzene - Aryl-aldehyde - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-methylpyrrole - Substituted pyrrole - Benzenoid - Vinylogous thioester - Heteroaromatic compound - Pyrrole - Vinylogous amide - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Aldehyde - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic 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 | 301.800 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 301.033 Da |
| Monoisotopic Mass | 301.033 Da |
| Topological Polar Surface Area | 47.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 353.000 |
| 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 |
![2-[(2-chlorophenyl)sulfanyl]-1-methyl-1H-indole-3-carbaldehyde - ≥97% , CAS No.338416-38-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)