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118630-52-7

118630-52-7 structural image
Product Name: METHYL N-CYANO-4-(2-PYRIDINYL)TETRAHYDRO-1(2H)-PYRAZINECARBIMIDOTHIOATE
Formula: C12H15N5S
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COMPUTED DESCRIPTORS

Molecular Weight 261.35 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 261.10481667 g/mol
Monoisotopic Mass 261.10481667 g/mol
Topological Polar Surface Area 80.8 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 340
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