8-(2-aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
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8-(2-aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
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CAS No:
6493-24-9
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Formula:
C10H15N5O2S
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Chemical Name:
8-(2-aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
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Synonyms:
CAFFEINE, 8-((2-AMINOETHYL)THIO)-;6493-24-9;8-(2-aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione;BRN 0385020;8-((2-Aminoethyl)thio)caffeine;4-26-00-02736 (Beilstein Handbook Reference);SCHEMBL3552988;DTXSID00215233
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CAS No:
8-(2-aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione Basic Attributes
269.33 g/mol
269.09464591 g/mol
DTXSID00215233
Computed Properties
Molecular Weight:269.33
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:269.09464591
Monoisotopic Mass:269.09464591
Topological Polar Surface Area:110
Heavy Atom Count:18
Complexity:366
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 8-(2-aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
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