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8-[(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)methyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one

8-[(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)methyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one structure

CAS No:
1915-58-8
Formula:
C15H16N8O2S2
Chemical Name:
8-[(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)methyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Synonyms:
1915-58-8;Theophylline, 8,8'-methylenebis(2-thio-;UNII-4FSN526LYU;4FSN526LYU;8,8'-METHYLENEBIS(2-THIOTHEOPHYLLINE);8,8'-Methylenebis[2-thiotheophylline];NSC 95911;BRN 1190517;8,8'-Methylene-bis-(2-thiotheophylline);NSC95911;DTXSID60172671;NSC-95911;ZINC13284956;Theophylline,8'-methylenebis[2-thio-;8,8'-Methylenebis(2-thio-theophylline

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8-[(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)methyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one Basic Attributes

Molecular Weight：

404.5 g/mol

Exact Mass：

404.08376413 g/mol

UNII：

4FSN526LYU

NSC Number：

95911

DSSTox ID：

DTXSID60172671

Characteristics

PSA：

169 Å²

Computed Properties

Molecular Weight:404.5
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:404.08376413
Monoisotopic Mass:404.08376413
Topological Polar Surface Area:169
Heavy Atom Count:27
Complexity:662
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-[(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)methyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one

Basic Attributes
Characteristics
Computed Properties

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