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201224-94-4

201224-94-4 structural image
Product Name: 2-PENTYL ISOTHIOCYANATE
Formula: C6H11NS
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COMPUTED DESCRIPTORS

Molecular Weight 129.23 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 129.06122053 g/mol
Monoisotopic Mass 129.06122053 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 94.7
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes