HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(Thiophen-2-YL)prop-2-ynenitrile
2-Propynenitrile, 3-(2-thienyl)- · 2-Propynenitrile, 3-(2-thienyl)- (9CI)
Identifiers & Physical Properties
| CAS No. | 73606-41-4 |
|---|---|
| Molecular formula | C7H3NS |
| Average molar mass | 133.17 g/mol |
| Monoisotopic mass | 132.99862027 g/mol |
| SMILES | N#CC#Cc1cccs1 |
| InChIKey | WAAOEURBCIITHE-UHFFFAOYSA-N |
| PubChem CID | 12540468 |
| DTXSID | DTXSID20501827 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 52 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 199 |