| Canonical Smiles | C1=CC2=C(C=C1C3=CSC=C3)C=NN2 |
|---|---|
| IUPAC Name | 5-thiophen-3-yl-1H-indazole |
| InChIKey | QXHLOLJGIKCFFR-UHFFFAOYSA-N |
| INCHI | 1S/C11H8N2S/c1-2-11-10(6-12-13-11)5-8(1)9-3-4-14-7-9/h1-7H,(H,12,13) |
| Isomeric SMILES | C1=CC2=C(C=C1C3=CSC=C3)C=NN2 |
| Alternate CAS | 885272-41-3 |
| PubChem CID | 19352958 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrazoles |
| Subclass | Indazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indazoles |
| Alternative Parents | Benzenoids Thiophenes Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indazole - Benzopyrazole - Benzenoid - Heteroaromatic compound - Thiophene - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene. |
| External Descriptors | Not available |
| Molecular Weight | 200.260 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 200.041 Da |
| Monoisotopic Mass | 200.041 Da |
| Topological Polar Surface Area | 56.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| 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 |
