Thionium
(2-decoxy-2-oxoethyl)-[2-[2-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]ethylsulfanyl]ethyl]-dimethylazanium dichloride
Also Known As: Thionium|Thionium (surfactant)|Thionium surfactant|2,2'-Thiobis(N-(2-decyloxy)-2-oxoethyl)-N,N-dimethylethanaminium dichloride|Dichlorure de bis(N,N-dimethyl-N-carbodecyloxymethyl-N-ethylene-ammonium)-sulfure [French]|Dichlorure de bis(N,N-dimethyl-N-carbodecyloxymethyl-N-ethylene-ammonium)-sulfure|Ethanaminium, 2,2'-thiobis(N-(2-decyloxy)-2-oxoethyl)-N,N-dimethyl-, dichloride|(2-decoxy-2-oxoethyl)-[2-[2-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]ethylsulfanyl]ethyl]-dimethylazanium dichloride|(2-decoxy-2-oxoethyl)-[2-[2-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]ethylsulfanyl]ethyl]-dimethylazanium,dichloride|N,N'-[Sulfanediyldi(ethane-2,1-diyl)]bis[2-(decyloxy)-N,N-dimethyl-2-oxoethan-1-aminium] dichloride
| Molecular Formula | C32H66Cl2N2O4S |
|---|---|
| Molecular Weight | 644.41205 g/mol |
| LogP | 1.2482 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 30 |
| Exact Mass | 644.41205 |
| Monoisotopic Mass | 644.41205 |
| Heavy Atoms | 41 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 76597-98-3 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C[N+](C)(C)CCSCC[N+](C)(C)CC(=O)OCCCCCCCCCC.[Cl-].[Cl-] |
| InChIKey | MWDNZMWVENFVHT-UHFFFAOYSA-L |
Product Overview
Thionium (CAS 76597-98-3), with molecular formula C32H66Cl2N2O4S and molecular weight 644.41205 g/mol. IUPAC: (2-decoxy-2-oxoethyl)-[2-[2-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]ethylsulfanyl]ethyl]-dimethylazanium dichloride.