1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione
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1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione
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CAS No:
1784-70-9
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Formula:
C7H8N4O2S
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Chemical Name:
1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione
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Synonyms:
1,3-dimethyl-8-pyridin-3-yl-3,7(9)-dihydro-purine-2,6-dione; 1,3-dimethyl-8-mercaptoxanthine; Theophylline,8-(3-pyridyl); 8-mercapto-theophylline; 8-<3-Pyridyl>-theophyllin; 8-
-theophyllin; 8-thiotheophylline; 1,3-dimethyl-8-thioxanthine; 8-(3-Pyridyl)theophylline; 1,3-dimethyl-8-thioxo-3,7,8,9-tetrahydro-purine-2,6-dione; 8-(pyridin-3-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione;Expand - Categories:
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CAS No:
1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione Basic Attributes
212.22900
212.03679668 g/mol
73501|14355
DTXSID90353012
2933990090
Computed Properties
Molecular Weight:212.23
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:212.03679668
Monoisotopic Mass:212.03679668
Topological Polar Surface Area:96.8
Heavy Atom Count:14
Complexity:389
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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