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Home > Encyclopedia > 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid

3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid

3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid structure

3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid 

structure
  • CAS No:

    129107-78-4

  • Formula:

    C13H12N4O5S

  • Chemical Name:

    3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid

  • Synonyms:

    8-(3-sulfophenyl)theophylline;8-(m-sulfophenyl)theophylline;8-m-sulfophenyltheophylline;MS0T;8-(3-Sulfophenyl)theophylline;129107-78-4;8-m-sulfophenyltheophylline;MS0T;8-(m-Sulfophenyl)theophylline;ACMC-20mt3e;DTXSID70156063;3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid;3-(2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid;Benzenesulfonic acid,3-(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)-;3-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid;Benzenesulfonic acid, 3-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)-

3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid Basic Attributes

336.33 g/mol

336.05284067 g/mol

DTXSID70156063

Characteristics

132 Ų

Drug Information

8-(3-sulfophenyl)theophylline

Computed Properties

Molecular Weight:336.33
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:336.05284067
Monoisotopic Mass:336.05284067
Topological Polar Surface Area:132
Heavy Atom Count:23
Complexity:618
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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