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8-ethylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one

8-ethylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one structure

CAS No:
4989-72-4
Formula:
C9H12N4OS2
Chemical Name:
8-ethylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Synonyms:
Theophylline, 8-ethylthio-2-thio-;Theophylline, (8-ethylthio)-2-thio-;4989-72-4;UNII-182W3XS9RZ;MLS002695340;182W3XS9RZ;2-Thio-(8-ethylthio)theophylline;2-Thio-8-ethylthiotheophylline;NSC 95863;BRN 1126190;Uric acid, 1,3-dimethyl-8-ethylthio-2-thio-;NSC95863;Theophylline, 8-(ethylthio)-2-thio-;NCIOpen2_006336;8-Ethylthio-2-thiotheophylline;CHEMBL1712266;DTXSID40198137;8-(Ethylthio)-2-thiotheophylline;HMS3087K05;NSC-95863;ZINC13284937;SMR001561246;Uric acid,3-dimethyl-(8-ethylthio)-2-thio-

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8-ethylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one Basic Attributes

Molecular Weight：

256.4 g/mol

Exact Mass：

256.04525337 g/mol

UNII：

182W3XS9RZ

NSC Number：

95863

DSSTox ID：

DTXSID40198137

Characteristics

PSA：

110 Å²

Computed Properties

Molecular Weight:256.4
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:256.04525337
Monoisotopic Mass:256.04525337
Topological Polar Surface Area:110
Heavy Atom Count:16
Complexity:325
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sodium aluminum sulfate; 1 bromopropane; h3bo3; invert sugar definition; calcium bromide formula; hiende

Guide of 8-ethylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one

Basic Attributes
Characteristics
Computed Properties

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