Base information
| Cat. No. | |
| CAS No. | 200938-58-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H11IN2OS |
| Molecular Weight | 346.187 |
| Exact Mass | 345.964 |
| XLogP3 | 3.0737 |
| Mr | 76.9857 |
| PSA | 69.88 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CCCn1c(=S)[nH]c2c(c1=O)cc(cc2)I |
