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1,3-dimethyl-7-(2-methylsulfanylethyl)purine-2,6-dione

1,3-dimethyl-7-(2-methylsulfanylethyl)purine-2,6-dione structure

CAS No:
3736-05-8
Formula:
C10H14N4O2S
Chemical Name:
1,3-dimethyl-7-(2-methylsulfanylethyl)purine-2,6-dione
Synonyms:
7 beta-methylthioethyltheophylline;metet;metet;3736-05-8;1,3-dimethyl-7-(2-methylsulfanylethyl)purine-2,6-dione;7-(beta-Methylthioethyl)theophylline;BRN 0263350;Theophylline, 7-(2-(methylthio)ethyl)-;7-(beta-Metylotioetylo)-teofilina [Polish];DTXSID90190803;7-(beta-Metylotioetylo)-teofilina;ZINC7064766;AKOS033057543;MCULE-3243690869;AB00982609-01;5-26-14-00044 (Beilstein Handbook Reference);Z112209850;1,3-dimethyl-7-[2-(methylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(methylthio)ethyl)- (9CI)

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1,3-dimethyl-7-(2-methylsulfanylethyl)purine-2,6-dione Basic Attributes

Molecular Weight：

254.31 g/mol

Exact Mass：

254.08374688 g/mol

DSSTox ID：

DTXSID90190803

Characteristics

PSA：

83.7 Å²

Drug Information

MeSH Entry Terms：

7 beta-methylthioethyltheophylline

Computed Properties

Molecular Weight:254.31
XLogP3:0.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:254.08374688
Monoisotopic Mass:254.08374688
Topological Polar Surface Area:83.7
Heavy Atom Count:17
Complexity:338
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methyl-β-d-pyranoside; formula sulphur dioxide; acetonide; hexanes sds; nitrite formula; alumina molar mass

Guide of 1,3-dimethyl-7-(2-methylsulfanylethyl)purine-2,6-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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