| Canonical Smiles | CC1=C(SC(=C1)C(=O)N)Br |
|---|---|
| IUPAC Name | 5-bromo-4-methylthiophene-2-carboxamide |
| InChIKey | HUXQMSWPHULFRN-UHFFFAOYSA-N |
| INCHI | 1S/C6H6BrNOS/c1-3-2-4(6(8)9)10-5(3)7/h2H,1H3,(H2,8,9) |
| Molecular Weight | 220.09 |
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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 2,3,5-trisubstituted thiophenes Aryl bromides Heteroaromatic compounds Primary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - 2,3,5-trisubstituted thiophene - Thiophene carboxamide - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxamide group - Primary 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 | 220.090 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 218.935 Da |
| Monoisotopic Mass | 218.935 Da |
| Topological Polar Surface Area | 71.300 Ų |
| Heavy Atom Count | 10 |
| 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 |
