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1,3,7-trimethyl-8-nonylsulfanylpurine-2,6-dione

1,3,7-trimethyl-8-nonylsulfanylpurine-2,6-dione structure

CAS No:
73747-38-3
Formula:
C17H28N4O2S
Chemical Name:
1,3,7-trimethyl-8-nonylsulfanylpurine-2,6-dione
Synonyms:
8-(Nonylthio)caffeine;CAFFEINE, 8-(NONYLTHIO)-;73747-38-3;UNII-LQ3S9Q19XC;LQ3S9Q19XC;NSC 81488;1,3,7-trimethyl-8-nonylsulfanylpurine-2,6-dione;NSC81488;8-(Nonylthio)-caffeine;DTXSID70224074;NSC-81488;WLN: T56 BN DN FNVNVJ B1 CS9 F1 H1;1H-Purine-2, 3,7-dihydro-1,3,7-trimethyl-8-(nonylthio)-;3,7-Dihydro-8-nonylthio-1,3,7-trimethyl-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(nonylthio)- (9CI)

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1,3,7-trimethyl-8-nonylsulfanylpurine-2,6-dione Basic Attributes

Molecular Weight：

352.5 g/mol

Exact Mass：

352.19329732 g/mol

UNII：

LQ3S9Q19XC

NSC Number：

81488

DSSTox ID：

DTXSID70224074

Characteristics

PSA：

83.7 Å²

Computed Properties

Molecular Weight:352.5
XLogP3:4.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:352.19329732
Monoisotopic Mass:352.19329732
Topological Polar Surface Area:83.7
Heavy Atom Count:24
Complexity:448
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3,7-trimethyl-8-nonylsulfanylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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