HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-(Piperidin-1-yl)hydrazinecarbothioamide
4-(N-PIPERIDINO)-THIOSEMICARBAZIDE · Hydrazinecarbothioamide, N-1-piperidinyl-

Identifiers & Physical Properties
| CAS No. | 91469-16-8 |
|---|---|
| Molecular formula | C6H14N4S |
| Average molar mass | 174.27 g/mol |
| Monoisotopic mass | 174.09391764 g/mol |
| SMILES | NNC(=S)NN1CCCCC1 |
| InChIKey | ZBIUNSHBFMMYCZ-UHFFFAOYSA-N |
| PubChem CID | 40468289 |
| DTXSID | DTXSID00654426 |
Chemical & Physical Properties
| XLogP | 0.3 |
|---|---|
| Topological polar surface area | 85.4 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 133 |
| Melting point | 170-171 |
| Boiling point | 280.3±23.0 °C(Predicted) |
| Density | 1.23±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 11.23±0.70(Predicted) |