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

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

CAS No:
4791-36-0
Formula:
C10H14N4OS2
Chemical Name:
1,3-dimethyl-8-propylsulfanyl-2-sulfanylidene-7H-purin-6-one
Synonyms:
Theophylline, 8-propylthio-2-thio-;Theophylline, (8-propylthio)-2-thio-;4791-36-0;UNII-6EA52R7NZL;6EA52R7NZL;MLS002703300;2-Thio-(8-propylthio)theophylline;2-Thio-8-propylthiotheophylline;NSC 95869;BRN 1131321;Uric acid, 1,3-dimethyl-8-propylthio-2-thio-;NSC95869;Theophylline, 8-(propylthio)-2-thio-;1,3-dimethyl-8-propylsulfanyl-2-sulfanylidene-7H-purin-6-one;NCIOpen2_006218;SCHEMBL4225946;CHEMBL1734270;DTXSID40197342;NSC-95869;ZINC13284941;8-PROPYLTHIO-2-THIOTHEOPHYLLINE;SMR001570023;Uric acid,3-dimethyl-(8-propylthio)-2-thio-;1,2,3,9-Tetrahydro-1,3-dimethyl-8-(propylthio)-2-thioxo-6H-purin-6-one

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

Molecular Weight：

270.4 g/mol

Exact Mass：

270.06090343 g/mol

UNII：

6EA52R7NZL

NSC Number：

95869

DSSTox ID：

DTXSID40197342

Characteristics

PSA：

110 Å²

Computed Properties

Molecular Weight:270.4
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:270.06090343
Monoisotopic Mass:270.06090343
Topological Polar Surface Area:110
Heavy Atom Count:17
Complexity:338
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: l-arginine structure; sodium sulfide compound; stoddard solvent; sec butanol; calcium acetate formula; ethyl acetate safety data sheet

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

Basic Attributes
Characteristics
Computed Properties

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