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

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

CAS No:
6287-54-3
Formula:
C9H12N4O2S
Chemical Name:
1,3,7-trimethyl-8-methylsulfanylpurine-2,6-dione
Synonyms:
8-Methylthiocaffeine;6287-54-3;UNII-16OKE808X6;1,3,7-trimethyl-8-methylsulfanylpurine-2,6-dione;16OKE808X6;F0907-6685;1,3,7-trimethyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione;1,3,7-trimethyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione;Caffeine, 8-(methylthio)-;NSC8807;NSC 8807;Caffeine, 8-(methylthio)- (8CI);CBMicro_014096;Cambridge id 5216009;CHEMBL4098211;SCHEMBL21602599;ZINC80109;DTXSID50212035;NSC-8807;SMSF0004639;CCG-18787;STK760770;AKOS001755173;CB09801;MCULE-6756402566;BIM-0014163.P001;EU-0008955;SR-01000469706;SR-01000469706-1;Q27251835

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

Molecular Weight：

240.28 g/mol

Exact Mass：

240.06809681 g/mol

UNII：

16OKE808X6

NSC Number：

8807

DSSTox ID：

DTXSID50212035

Characteristics

PSA：

83.7 Å²

Computed Properties

Molecular Weight:240.28
XLogP3:0.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:240.06809681
Monoisotopic Mass:240.06809681
Topological Polar Surface Area:83.7
Heavy Atom Count:16
Complexity:338
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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