8-(2-hydroxyethylsulfanyl)-3,7-dimethylpurine-2,6-dione
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8-(2-hydroxyethylsulfanyl)-3,7-dimethylpurine-2,6-dione
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CAS No:
113512-14-4
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Formula:
C9H12N4O3S
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Chemical Name:
8-(2-hydroxyethylsulfanyl)-3,7-dimethylpurine-2,6-dione
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Synonyms:
8-(2-hydroxy-ethylmercapto)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione; 1H-Purine-2,6-dione,3,7-dihydro-8-[(2-hydroxyethyl)thio]-3,7-dimethyl; 8-((2-Hydroxyethyl)thio)theobromine; Theobromine,8-((2-hydroxyethyl)thio); 8-(2-Hydroxy-aethylmercapto)-3,7-dimethyl-3,7-dihydro-purin-2,6-dion;
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CAS No:
8-(2-hydroxyethylsulfanyl)-3,7-dimethylpurine-2,6-dione Basic Attributes
256.28200
256.06301143
DTXSID00150433
Computed Properties
Molecular Weight:256.28
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:256.06301143
Monoisotopic Mass:256.06301143
Topological Polar Surface Area:113
Heavy Atom Count:17
Complexity:340
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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