8-butylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
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8-butylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
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CAS No:
74039-66-0
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Formula:
C11H16N4O2S
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Chemical Name:
8-butylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
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Synonyms:
Theophylline, 8-butylthio-;8-N-Butylthiotheophylline;74039-66-0;NSC77338;NSC 77338;8-(Butylthio)theophyline;DTXSID40995446;NSC-77338;ZINC13284627;1H-Purine-2, 8-(butylthio)-3,7-dihydro-1,3-dimethyl-;8-(Butylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 8-(butylthio)-3,7-dihydro-1,3-dimethyl- (9CI)
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CAS No:
8-butylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione Basic Attributes
268.34 g/mol
268.09939694 g/mol
77338
Computed Properties
Molecular Weight:268.34
XLogP3:2.1
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:94.6
Heavy Atom Count:18
Complexity:352
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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