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22278-81-5

22278-81-5 structural image
Product Name: 4-AMINO-3-MERCAPTO-6-METHYL-4H-[1,2,4]TRIAZIN-5-ONE
Formula: C4H6N4OS
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COMPUTED DESCRIPTORS

Molecular Weight 158.18 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 158.02623200 g/mol
Monoisotopic Mass 158.02623200 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 223
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