8,8'-Ethylenebis(2-thio-theophylline)
8-[2-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Also Known As: 8,8'-Ethylenebis(2-thiotheophylline)|Theophylline, 8,8'-ethylenebis(2-thio-|8,8'-Ethylenebis(2-thio-theophylline)|8,8'-Dimethylene-bis-(2-thiotheophylline)|Theophylline,8'-ethylenebis[2-thio-|Theophylline,8,8'-ethylenebis(2-thio|8,8/'-Ethylenebis(2-thiotheophylline)|8,8'-Dimethylenebis(2-thiotheophylline)|8,8 -Ethylenebis(2-thiotheophylline)|Theophylline, 8,8'-ethylenebis[2-thio-|8-[2-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one|8,8/'-Ethylenebis[3,7-dihydro-1,3-dimethyl-2-thioxo-1H-purin-6(2H)-one]|8,8'-ethane-1,2-diylbis(1,3-dimethyl-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one)|8-[2-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)ethyl|8,8 -Ethylenebis[3,7-dihydro-1,3-dimethyl-2-thioxo-1H-purin-6(2H)-one]|8,8'-(Ethane-1,2-diyl)bis(1,3-dimethyl-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one)|8-[2-(1,3-dimethyl-6-oxo-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-8-yl)ethyl]-1,3-dimethyl-2-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-6-one
| Molecular Formula | C16H18N8O2S2 |
|---|---|
| Molecular Weight | 418.09943 g/mol |
| LogP | 0.76 |
| Topological Polar Surface Area | 111.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.09943 |
| Heavy Atoms | 28 |
| Complexity | 1380.1 |
Chemical Identifiers
| CAS Number | 1784-50-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=S)C)NC(=N2)CCC3=NC4=C(N3)C(=O)N(C(=S)N4C)C |
Product Overview
8,8'-Ethylenebis(2-thio-theophylline) (CAS 1784-50-5), with molecular formula C16H18N8O2S2 and molecular weight 418.09943 g/mol. IUPAC: 8-[2-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one.
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