3,7-dimethyl-8-propylsulfanylpurine-2,6-dione
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3,7-dimethyl-8-propylsulfanylpurine-2,6-dione
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CAS No:
74039-58-0
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Formula:
C10H14N4O2S
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Chemical Name:
3,7-dimethyl-8-propylsulfanylpurine-2,6-dione
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Synonyms:
3,7-dimethyl-8-(propylsulfanyl)-3,7-dihydro-1h-purine-2,6-dione; 8-(Propylthio)theobromine; Theobromine,8-(propylthio);
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CAS No:
3,7-dimethyl-8-propylsulfanylpurine-2,6-dione Basic Attributes
254.30900
254.08374688 g/mol
SN3J1WFN66
81491
DTXSID90224930
2933990090
Computed Properties
Molecular Weight:254.31
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:254.08374688
Monoisotopic Mass:254.08374688
Topological Polar Surface Area:92.5
Heavy Atom Count:17
Complexity:338
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 3,7-dimethyl-8-propylsulfanylpurine-2,6-dione
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