HuagongsheHuagongshe Chemistry Print Report · For research reference only
alpha-Methyl-p-(2-thenoyl)hydratroponitrile
Identifiers & Physical Properties
| Molecular formula | C15H13NOS |
|---|---|
| Average molar mass | 255.3 g/mol |
| SMILES | CC(C)(C#N)c1ccc(C(=O)c2cccs2)cc1 |
| InChIKey | YYDOZZLMLQFHJW-UHFFFAOYSA-N |
| PubChem CID | 21391796 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 69.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 360 |