Base information
| Cat. No. | |
| CAS No. | 1207176-04-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11N3O3S |
| Molecular Weight | 241.267 |
| Exact Mass | 241.052 |
| XLogP3 | 1.72808 |
| Mr | 59.9004 |
| PSA | 123.22 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#Cc1c(NC(=O)OC(C)(C)C)s[nH]c1=O |
