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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1C2=C(C3=CC=CC=C3O1)C(=C(S2)N)C#N |
|---|---|
| IUPAC Name | 2-amino-4H-thieno[2,3-c]chromene-1-carbonitrile |
| InChIKey | ONCNPQUIOLSGMJ-UHFFFAOYSA-N |
| INCHI | 1S/C12H8N2OS/c13-5-8-11-7-3-1-2-4-9(7)15-6-10(11)16-12(8)14/h1-4H,6,14H2 |
| Peso molecular | 228.27 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzopyrans |
| Alternative Parents | 3,4,5-trisubstituted-2-aminothiophenes Alkyl aryl ethers Benzenoids Heteroaromatic compounds Oxacyclic compounds Nitriles Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzopyran - 3,4,5-trisubstituted-2-aminothiophene - Alkyl aryl ether - Benzenoid - 2-aminothiophene - Thiophene - Heteroaromatic compound - Nitrile - Carbonitrile - Ether - Oxacycle - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. |
| External Descriptors | Not available |
| Peso molecular | 228.270 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 228.036 Da |
| Monoisotopic Mass | 228.036 Da |
| Topological Polar Surface Area | 87.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 326.000 |
| 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 |