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Home > Encyclopedia > 2,3,6,7-Tetrahydro-7-methyl-8-(methylthio)-2,6-dioxo-1H-purin-1-yl benzenesulfonate

2,3,6,7-Tetrahydro-7-methyl-8-(methylthio)-2,6-dioxo-1H-purin-1-yl benzenesulfonate

2,3,6,7-Tetrahydro-7-methyl-8-(methylthio)-2,6-dioxo-1H-purin-1-yl benzenesulfonate structure

2,3,6,7-Tetrahydro-7-methyl-8-(methylthio)-2,6-dioxo-1H-purin-1-yl benzenesulfonate 

structure
  • CAS No:

    1098-93-7

  • Formula:

    C13H12N4O5S2

  • Chemical Name:

    2,3,6,7-Tetrahydro-7-methyl-8-(methylthio)-2,6-dioxo-1H-purin-1-yl benzenesulfonate

  • Synonyms:

    Benzenesulfonic acid,2,3,6,7-tetrahydro-7-methyl-8-(methylthio)-2,6-dioxo-1H-purin-1-yl ester;Heteroxanthine,8-(methylthio)-1-[(phenylsulfonyl)oxy]-;2,3,6,7-Tetrahydro-7-methyl-8-(methylthio)-2,6-dioxo-1H-purin-1-yl benzenesulfonate;NSC 85705

2,3,6,7-Tetrahydro-7-methyl-8-(methylthio)-2,6-dioxo-1H-purin-1-yl benzenesulfonate Basic Attributes

368.38800

368.39

85705

DTXSID70149051

Characteristics

149.73000

1.04350

1.66g/cm3

1.737

Computed Properties

Molecular Weight:368.4
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:368.02491184
Monoisotopic Mass:368.02491184
Topological Polar Surface Area:144
Heavy Atom Count:24
Complexity:616
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2,3,6,7-Tetrahydro-7-methyl-8-(methylthio)-2,6-dioxo-1H-purin-1-yl benzenesulfonate

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