RefChem:1100071
bis((E)-but-2-enedioic acid);(9E)-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]-N,N-dimethylthioxanthene-2-sulfonamide
Also Known As: Phenol,4-(1,1-dimethylethyl)-,carbonate (2:1)|Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-(2-hydroxyethyl)-1-piperazinyl)-propylidene)-, dimaleate, (E)-|(E)-but-2-enedioic acid; (9E)-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]-N,N-dimethylthioxanthene-2-sulfonamide|but-2-enedioic acid; (9E)-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]-N,N-dimethyl-thioxanthene-2-sulfonamide
| Molecular Formula | C32H39N3O11S2 |
|---|---|
| Molecular Weight | 705.2026 g/mol |
| LogP | 2.2568 |
| Topological Polar Surface Area | 213.29 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 705.2026 |
| Monoisotopic Mass | 705.2026 |
| Heavy Atoms | 48 |
| Complexity | 1580.0043 |
Chemical Identifiers
| CAS Number | 25616-72-2 |
|---|---|
| SMILES | CN(S(=O)(=O)C1=CC\2=C(SC3=CC=CC=C3/C2=C\CCN4CCN(CC4)CCO)C=C1)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1100071 (CAS 25616-72-2), with molecular formula C32H39N3O11S2 and molecular weight 705.2026 g/mol. IUPAC: bis((E)-but-2-enedioic acid);(9E)-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]-N,N-dimethylthioxanthene-2-sulfonamide.