8-decylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
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8-decylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
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CAS No:
25837-29-0
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Formula:
C17H28N4O2S
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Chemical Name:
8-decylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
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Synonyms:
1h-purine-2,6-dione,8-(decylthio)-3,7-dihydro-1,3-dimethyl; Theophylline,8-(decylthio); 8-(Decylthio)theophylline;
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CAS No:
8-decylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione Basic Attributes
352.49500
352.19329732 g/mol
698AW632Y2
81479
DTXSID40180491
Computed Properties
Molecular Weight:352.5
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:352.19329732
Monoisotopic Mass:352.19329732
Topological Polar Surface Area:94.6
Heavy Atom Count:24
Complexity:435
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 8-decylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
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