8-(Allylthio)-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one
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8-(Allylthio)-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one
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CAS No:
6493-39-6
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Formula:
C10H12N4OS2
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Chemical Name:
8-(Allylthio)-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one
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Synonyms:
8-Allylthio-6-thiotheophylline;8-(Allylthio)-6-thiotheophylline;8-(Allylthio)-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one;8-(Allylthio)-1,3-dimethyl-6-thioxo-1,6-dihydro-7H-purin-2(3H)-one
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CAS No:
8-(Allylthio)-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one Basic Attributes
268.353
268.045
95867
DTXSID00215238
Computed Properties
Molecular Weight:268.4
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:268.04525337
Monoisotopic Mass:268.04525337
Topological Polar Surface Area:110
Heavy Atom Count:17
Complexity:362
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
8-(Allylthio)-6,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2(3H)-one
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