≥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.
| Sonrisas canónicas | CC1=CC=C(C=C1)C(=O)NC2=C(SC(=C2C3=CC=CC=C3)SCC#N)C#N |
|---|---|
| IUPAC Name | N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenylthiophen-3-yl]-4-methylbenzamide |
| InChIKey | VYJAWTKATDUZFO-UHFFFAOYSA-N |
| INCHI | 1S/C21H15N3OS2/c1-14-7-9-16(10-8-14)20(25)24-19-17(13-23)27-21(26-12-11-22)18(19)15-5-3-2-4-6-15/h2-10H,12H2,1H3,(H,24,25) |
| Peso molecular | 389.500 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzamides |
| Alternative Parents | p-Toluamides Benzoyl derivatives Alkylarylthioethers Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Nitriles Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzamide - Toluamide - P-toluamide - Aryl thioether - Benzoyl - Toluene - Alkylarylthioether - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Carbonitrile - Thioether - Nitrile - Organic oxide - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 389.500 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 389.066 Da |
| Monoisotopic Mass | 389.066 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 607.000 |
| 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 |
![N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-methylbenzenecarboxamide - ≥90% , CAS No.860609-94-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)