Base information
| Cat. No. | |
| CAS No. | 1231710-80-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H15N3S |
| Molecular Weight | 245.343 |
| Exact Mass | 245.099 |
| XLogP3 | 4.0809 |
| Mr | 74.9617 |
| PSA | 65.52 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCC(=NNc1ncc(s1)c1ccccc1)C |