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8-butylsulfanyl-1,3,9-trimethylpurine-2,6-dione

8-butylsulfanyl-1,3,9-trimethylpurine-2,6-dione structure

CAS No:
109285-66-7
Formula:
C12H18N4O2S
Chemical Name:
8-butylsulfanyl-1,3,9-trimethylpurine-2,6-dione
Synonyms:
NSC400176;8-butylmercapto-1,3,9-trimethyl-3,9-dihydro-purine-2,6-dione;ZINC1593043;NSC-400176;109285-66-7

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8-butylsulfanyl-1,3,9-trimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

282.36 g/mol

Exact Mass：

282.11504700 g/mol

NSC Number：

400176

Characteristics

PSA：

83.7 Å²

XLogP3：

0.8629

Melting Point：

171 - 172 °C (ethanol)

Computed Properties

Molecular Weight:282.36
XLogP3:1.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:282.11504700
Monoisotopic Mass:282.11504700
Topological Polar Surface Area:83.7
Heavy Atom Count:19
Complexity:379
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-butylsulfanyl-1,3,9-trimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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