Base information
| Cat. No. | |
| CAS No. | 111-97-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8N2S |
| Molecular Weight | 140.206 |
| Exact Mass | 140.041 |
| XLogP3 | 1.54696 |
| Mr | 38.045 |
| PSA | 72.88 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 16 |
| Ring number | 0 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#CCCSCCC#N |
