HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde
1H-Indole-3-carboxaldehyde, 2-(2,5-dimethyl-3-thienyl)- · 1H-Indole-3-carboxaldehyde,2-(2,5-dimethyl-3-thienyl)-(9CI)
Identifiers & Physical Properties
| CAS No. | 590390-92-4 |
|---|---|
| Molecular formula | C15H13NOS |
| Average molar mass | 255.3 g/mol |
| SMILES | Cc1cc(-c2[nH]c3ccccc3c2C=O)c(C)s1 |
| InChIKey | PMKBHWROXFLCLC-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 61.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 322 |