1,3-dimethyl-8-propylsulfanyl-7H-purine-2,6-dione
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1,3-dimethyl-8-propylsulfanyl-7H-purine-2,6-dione
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CAS No:
73908-84-6
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Formula:
C10H14N4O2S
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Chemical Name:
1,3-dimethyl-8-propylsulfanyl-7H-purine-2,6-dione
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Synonyms:
Theophylline, (8-propylthio)-;8-(N-Propylthio)theophylline;73908-84-6;8-n-Propylthiotheophylline;Theophylline, 8-propylthio-;NSC77337;NSC 77337;8-(Propylthio)theophyline;NCIOpen2_004114;1,3-dimethyl-8-propylsulfanyl-7H-purine-2,6-dione;DTXSID30995051;NSC-77337;ZINC13284626;1H-Purine-2, 3,7-dihydro-1,3-dimethyl-8-(propylthio)-;1,3-Dimethyl-8-(propylsulfanyl)-3,9-dihydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(propylthio)- (9CI)
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CAS No:
1,3-dimethyl-8-propylsulfanyl-7H-purine-2,6-dione Basic Attributes
254.31 g/mol
254.08374688 g/mol
77337
Computed Properties
Molecular Weight:254.31
XLogP3:1.7
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:94.6
Heavy Atom Count:17
Complexity:338
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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