6-thiotheophylline

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 140
Total Number of Articles : 117
PubChem 3036595
Molecular Formula

C7H8N4OS

SMILES

CN1C2=C(C(=S)N(C1=O)C)NC=N2

InChI

InChI=1S/C7H8N4OS/c1-10-5-4(8-3-9-5)6(13)11(2)7(10)12/h3H,1-2H3,(H,8,9)

synonyms
  • 6-Thiotheophylline
  • 2398-70-1
  • DTXSID10178704
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Properties
Property Value
MW 196.23 g/mol
HBD 1
HBA 3
Rotatable Bond Count 0
Exact Mass 196.04188206 g/mol
Monoisotopic Mass 196.04188206 g/mol
Heavy Atom Count 13
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 269
xlogp 0.6
Topological Polar Surface Area 84.3