Alpha-Terthienyl
Representations & DB's id
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| ChEBI: | CHEBI:10335 | |
|---|---|---|
| ChEMBL: | CHEMBL90017 | |
| PubChem: | 65067 | |
| IUPAC: | 2,5-dithiophen-2-ylthiophene | |
| Standard InChI: | InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H | |
| Standard InChI Key: | KXSFECAJUBPPFE-UHFFFAOYSA-N | |
| SMILES: | c1csc(c1)c1ccc(s1)c1cccs1 | |
Molecular propeties
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| AlogP: | 5.21 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 247.98 | |
| Topological polar surface area: | 84.7 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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