≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)SCC3=CC=C(C=C3)Cl)C#N)N |
|---|---|
| IUPAC Name | 4-amino-5-benzoyl-2-[(4-chlorophenyl)methylsulfanyl]thiophene-3-carbonitrile |
| InChIKey | IQXWIEVGTRJIMO-UHFFFAOYSA-N |
| INCHI | 1S/C19H13ClN2OS2/c20-14-8-6-12(7-9-14)11-24-19-15(10-21)16(22)18(25-19)17(23)13-4-2-1-3-5-13/h1-9H,11,22H2 |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)SCC3=CC=C(C=C3)Cl)C#N)N |
| PubChem CID | 1488089 |
| Molecular Weight | 384.91 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Thiophene carboxylic acids and derivatives Benzoyl derivatives Chlorobenzenes Alkylarylthioethers Aryl chlorides Aminothiophenes Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Nitriles Primary amines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Aryl thioether - Benzoyl - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Alkylarylthioether - Aminothiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Nitrile - Carbonitrile - Organoheterocyclic compound - Thioether - Sulfenyl compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 384.900 g/mol |
|---|---|
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 384.016 Da |
| Monoisotopic Mass | 384.016 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 509.000 |
| 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 |
![4-Amino-5-benzoyl-2-[(4-chlorobenzyl)sulfanyl]-3-thiophenecarbonitrile - ≥90% , CAS No.478081-60-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)