8-butylsulfanyl-3,7-dimethylpurine-2,6-dione
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8-butylsulfanyl-3,7-dimethylpurine-2,6-dione
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CAS No:
74039-56-8
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Formula:
C11H16N4O2S
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Chemical Name:
8-butylsulfanyl-3,7-dimethylpurine-2,6-dione
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Synonyms:
8-(Butylthio)theobromine;Theobromine, 8-(butylthio)-;74039-56-8;KF1TKJ8VHG;UNII-KF1TKJ8VHG;NSC 81492;8-butylsulfanyl-3,7-dimethylpurine-2,6-dione;NSC81492;DTXSID20224928;NSC-81492;ZINC13284723;WLN: T56 BN DN FNVMVJ B1 CS4 F1;1H-Purine-2, 8-(butylthio)-3,7-dihydro-3,7-dimethyl-;1H-Purine-2,6-dione, 8-(butylthio)-3,7-dihydro-3,7-dimethyl- (9CI)
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CAS No:
8-butylsulfanyl-3,7-dimethylpurine-2,6-dione Basic Attributes
268.34 g/mol
268.09939694 g/mol
KF1TKJ8VHG
81492
DTXSID20224928
Computed Properties
Molecular Weight:268.34
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:268.09939694
Monoisotopic Mass:268.09939694
Topological Polar Surface Area:92.5
Heavy Atom Count:18
Complexity:352
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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