≥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(=CC=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N |
|---|---|
| IUPAC Name | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylbenzamide |
| InChIKey | HYWVXZNOBMXHDR-UHFFFAOYSA-N |
| INCHI | 1S/C17H16N2OS/c1-11-5-4-6-12(9-11)16(20)19-17-14(10-18)13-7-2-3-8-15(13)21-17/h4-6,9H,2-3,7-8H2,1H3,(H,19,20) |
| Isómeros SMILES | CC1=CC(=CC=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N |
| PubChem CID | 698213 |
| Peso molecular | 296.39 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzamides |
| Alternative Parents | m-Toluamides Benzoyl derivatives Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzamide - Toluamide - M-toluamide - Benzoyl - Toluene - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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 | 296.400 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 296.098 Da |
| Monoisotopic Mass | 296.098 Da |
| Topological Polar Surface Area | 81.100 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 443.000 |
| 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 |
