Base information
| Cat. No. | |
| CAS No. | 49625-94-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H10NNaO3S3 |
| Molecular Weight | 311.376 |
| Exact Mass | 310.972 |
| XLogP3 | 3.4045 |
| Mr | 69.6394 |
| PSA | 132.01 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | [O-]S(=O)(=O)CCCSc1nc2c(s1)cccc2.[Na+] |
