| Canonical Smiles | CCNC(=O)C1=CC=C(S1)Br |
|---|---|
| IUPAC Name | 5-bromo-N-ethylthiophene-2-carboxamide |
| InChIKey | MCZJXRSQHCIODB-UHFFFAOYSA-N |
| INCHI | 1S/C7H8BrNOS/c1-2-9-7(10)5-3-4-6(8)11-5/h3-4H,2H2,1H3,(H,9,10) |
| Isomeric SMILES | CCNC(=O)C1=CC=C(S1)Br |
| PubChem CID | 17148841 |
| Molecular Weight | 234.12 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxamides |
| Alternative Parents | 2-heteroaryl carboxamides 2,5-disubstituted thiophenes Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Thiophene carboxamide - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide. |
| External Descriptors | Not available |
| Molecular Weight | 234.120 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 232.951 Da |
| Monoisotopic Mass | 232.951 Da |
| Topological Polar Surface Area | 57.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 153.000 |
| 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 |
