8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one

8-(2-aminoethylsulfanyl)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

Also Known As: Theophylline, 8-(2-aminoethyl)thio-6-thio-|NCIOpen2_006510|6-Thio-8-(2'-aminoethyl)thiotheophylline|Uric acid,3-dimethyl-6-thio-|Theophylline,8-(2-aminoethyl)thio-6-thio|Theophylline, 8-[(2-aminoethyl)thio]-6-thio-|Uric acid, 8-(2-aminoethyl)thio-1,3-dimethyl-6-thio-|8-(2-AMINOETHYL)THIO-6-THIOTHEOPHYLLINE|THEOPHYLLINE, 8-((2-AMINOETHYL)THIO)-6-THIO-|8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one|8-(2-aminoethylsulfanyl)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one|8-[thio]-6,7-dihydro-1,3-dimethyl-6-thioxo-1h-purin-2 -one|8-[ thio]-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2 -one|8-[(2-aminoethyl)sulfanyl]-1,3-dimethyl-6-sulfanylidene-2,3,6,7-tetrahydro-1H-purin-2-one|8-[(2-Aminoethyl)thio]-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one|8-[(2-Aminoethyl)thio]-6,7-dihydro-6-thioxo-1,3-dimethyl-1H-purin-2(3H)-one|2H-PURIN-2-ONE, 8-((2-AMINOETHYL)THIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-|8-[(2-Aminoethyl)sulfanyl]-1,3-dimethyl-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one

Molecular Formula	C9H13N5OS2
Molecular Weight	271.05615 g/mol
LogP	0.38039
Topological Polar Surface Area	81.63 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	271.05615
Monoisotopic Mass	271.05615
Heavy Atoms	17
Complexity	668.30164

Chemical Identifiers

CAS Number	6559-88-2
SMILES	CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN