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16071-28-6

16071-28-6 structural image
Product Name: 4-(METHYLTHIO)-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE
Formula: C6H5N3OS
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COMPUTED DESCRIPTORS

Molecular Weight 167.19 g/mol
XLogP3 -0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 167.01533297 g/mol
Monoisotopic Mass 167.01533297 g/mol
Topological Polar Surface Area 90.6 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 296
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