6-Thioxanthine structure

6-Thioxanthine

6-sulfanylidene-3,7-dihydropurin-2-one

Also Known As: 6-Thioxanthine|6-Mercapto-9H-purin-2-ol|Thioxanthine|2-Hydroxy-6-mercaptopurine|6-Mercaptoxanthine|Oxaflumazine|Thiopurinol|Purine analog|6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one|6-sulfanyl-9H-purin-2-ol|Xanthine, 6-thio-|6-sulfanylpurin-2-ol|?6-THIOXANTHINE|6-Thio-2-hydroxypurine|2-HYDROXY-6-THIOPURINE|2-Hydroxy-6-mercapto-purin|6-sulfanyl-7H-purin-2-ol|9H-purin-2-ol, 6-mercapto-|6-sulfanylidene-3,7-dihydropurin-2-one|6-Mercapto-9H-purine-2-ol|6-Thioxo-1,3,6,9-tetrahydro-2H-purin-2-one|KS-00000JWI|2H-Purin-2-one, 1,3,6,7-tetrahydro-6-thioxo-|2H-Purin-2-one, 1,3,6,9-tetrahydro-6-thioxo-|6-mercapto-3,9-dihydro-2H-purin-2-one|6-thioxo-3,7-dihydropurin-2-one|6-thioxo-3,9-dihydropurin-2-one

CAS: 2002-59-7
Molecular Formula C5H4N4OS
Molecular Weight 168.01057 g/mol
LogP 0.30879
Topological Polar Surface Area 77.33 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
Rotatable Bonds 0
Exact Mass 168.01057
Monoisotopic Mass 168.01057
Heavy Atoms 11
Complexity 492.642

Chemical Identifiers

CAS Number 2002-59-7
SMILES C1=NC2=C(N1)C(=S)NC(=O)N2

Product Overview

6-Thioxanthine (CAS 2002-59-7), with molecular formula C5H4N4OS and molecular weight 168.01057 g/mol. IUPAC: 6-sulfanylidene-3,7-dihydropurin-2-one.

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