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5416-94-4

5416-94-4 structural image
Product Name: HEPTYL THIOCYANATE
Formula: C8H15NS
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COMPUTED DESCRIPTORS

Molecular Weight 157.28 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 157.09252066 g/mol
Monoisotopic Mass 157.09252066 g/mol
Topological Polar Surface Area 49.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 103
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