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52222-45-4

52222-45-4 structural image
Product Name: 6-AMINO-2-(BENZYLSULFANYL)-5-NITROSOPYRIMIDIN-4-YLAMINE
Formula: C11H11N5OS
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COMPUTED DESCRIPTORS

Molecular Weight 261.31 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 261.06843116 g/mol
Monoisotopic Mass 261.06843116 g/mol
Topological Polar Surface Area 133 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 262
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes