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1,3-dimethyl-8-(1-sulfanylethyl)-7H-purine-2,6-dione

1,3-dimethyl-8-(1-sulfanylethyl)-7H-purine-2,6-dione structure

CAS No:
6466-41-7
Formula:
C9H12N4O2S
Chemical Name:
1,3-dimethyl-8-(1-sulfanylethyl)-7H-purine-2,6-dione
Synonyms:
6466-41-7;1,3-dimethyl-8-(1-sulfanylethyl)-3,7-dihydro-1h-purine-2,6-dione;NSC95864;NCIOpen2_006376;DTXSID30294334;NSC-95864

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1,3-dimethyl-8-(1-sulfanylethyl)-7H-purine-2,6-dione Basic Attributes

Molecular Weight：

240.28 g/mol

Exact Mass：

240.06809681 g/mol

NSC Number：

95864

DSSTox ID：

DTXSID30294334

Characteristics

PSA：

70.3 Å²

Computed Properties

Molecular Weight:240.28
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:240.06809681
Monoisotopic Mass:240.06809681
Topological Polar Surface Area:70.3
Heavy Atom Count:16
Complexity:338
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-8-(1-sulfanylethyl)-7H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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