≥98% 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 | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | ethyl 2-benzamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| InChIKey | WQTJOHHHKNWSIK-UHFFFAOYSA-N |
| INCHI | 1S/C19H21NO3S/c1-2-23-19(22)16-14-11-7-4-8-12-15(14)24-18(16)20-17(21)13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,20,21) |
| Peso molecular | 343.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Cycloheptathiophenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cycloheptathiophenes |
| Alternative Parents | Benzamides Thiophene carboxylic acids and derivatives Benzoyl derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cycloheptathiophene - Benzamide - Benzoic acid or derivatives - Benzoyl - Thiophene carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. |
| External Descriptors | Not available |
| Peso molecular | 343.400 g/mol |
|---|---|
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 343.124 Da |
| Monoisotopic Mass | 343.124 Da |
| Topological Polar Surface Area | 83.600 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 450.000 |
| 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 |
![ethyl 2-[(phenylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate - ≥98% , CAS No.63274-52-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)