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8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione

8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione structure

CAS No:
56164-19-3
Formula:
C9H12N4O2S
Chemical Name:
8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Synonyms:
56164-19-3;8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione;NSC71897;NCIOpen2_003766;SCHEMBL515969;DTXSID10290935;ZINC8616127;NSC-71897

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8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione Basic Attributes

Molecular Weight：

240.28 g/mol

Exact Mass：

240.06809681 g/mol

NSC Number：

71897

DSSTox ID：

DTXSID10290935

Characteristics

PSA：

94.6 Å²

Computed Properties

Molecular Weight:240.28
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:240.06809681
Monoisotopic Mass:240.06809681
Topological Polar Surface Area:94.6
Heavy Atom Count:16
Complexity:325
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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