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

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

CAS No:
6466-11-1
Formula:
C18H30N4OS2
Chemical Name:
1,3-dimethyl-2-sulfanylidene-8-undecylsulfanyl-7H-purin-6-one
Synonyms:
UNII-I28RYF7SID;Theophylline, 2-thio-8-undecylthio-;I28RYF7SID;2-Thio-8-(N-undecylthio)theophylline;Theophylline, 2-thio-(8-undecylthio)-;6466-11-1;2-Thio-8-n-undecylthiotheophylline;NSC97995;NSC 97995;BRN 1158301;Uric acid, 1,3-dimethyl-2-thio-8-undecylthio-;DTXSID20214925;2-Thio-8-(undecylthio)theophylline;NSC-97995;ZINC95871043;Theophylline, 2-thio-8-(undecylthio)-;Uric acid,3-dimethyl-2-thio-(8-undecylthio)-;1,2,3,9-Tetrahydro-1,3-dimethyl-2-thioxo-8-(undecylthio)-6H-purin-6-one

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

Molecular Weight：

382.6 g/mol

Exact Mass：

382.18610394 g/mol

UNII：

I28RYF7SID

NSC Number：

97995

DSSTox ID：

DTXSID20214925

Characteristics

PSA：

110 Å²

Computed Properties

Molecular Weight:382.6
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:382.18610394
Monoisotopic Mass:382.18610394
Topological Polar Surface Area:110
Heavy Atom Count:25
Complexity:449
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methyl-β-d-pyranoside; acetic acid chemical formula; oleate; phthalic acid; ischiorectal abscess; sec butanol

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

Basic Attributes
Characteristics
Computed Properties

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