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8-ethylsulfanyl-1,3,7-trimethylpurine-2,6-dione

8-ethylsulfanyl-1,3,7-trimethylpurine-2,6-dione structure

CAS No:
6287-57-6
Formula:
C10H14N4O2S
Chemical Name:
8-ethylsulfanyl-1,3,7-trimethylpurine-2,6-dione
Synonyms:
8-ethylsulfanyl-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione; 8-Ethylthiocaffeine; Caffeine,8-(ethylthio); 1,3,7-trimethyl-8-(ethylthio)xanthine; 8-(Ethylthio)-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion; Caffeine,8-(ethylthio)-(8CI); 8-Ethylthiocoffein; UNII-706T7605G4; 8-Aethylmercapto-1,3,7-trimethyl-3,7-dihydro-purin-2,6-dion;Expand

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8-ethylsulfanyl-1,3,7-trimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

254.30900

Exact Mass：

254.08374688 g/mol

UNII：

706T7605G4

NSC Number：

8811

DSSTox ID：

DTXSID10212036

Characteristics

PSA：

87.12000

XLogP3：

0.08270

Density：

1.41g/cm3

Boiling Point：

447.3ºC

Flash Point：

224.3ºC

Refractive Index：

1.673

Computed Properties

Molecular Weight:254.31
XLogP3:1.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:254.08374688
Monoisotopic Mass:254.08374688
Topological Polar Surface Area:83.7
Heavy Atom Count:17
Complexity:351
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-ethylsulfanyl-1,3,7-trimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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