Base information
| Cat. No. | |
| CAS No. | 139751-05-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H17N3O2S |
| Molecular Weight | 279.358 |
| Exact Mass | 279.104 |
| XLogP3 | 3.7064 |
| Mr | 78.0224 |
| PSA | 92.31 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CCCSc1ccc2c(c1)[nH]c(n2)NC(=O)OCC |
