Base information
| Cat. No. | |
| CAS No. | 111628-37-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H15N3S |
| Molecular Weight | 233.333 |
| Exact Mass | 233.099 |
| XLogP3 | 2.4898 |
| Mr | 75.7857 |
| PSA | 56.4 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 33 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C1NCCN(CC1)c1nc2c(s1)cccc2 |
