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56312-14-2

56312-14-2 structural image
Product Name: 1,8-OCTANE DIISOTHIOCYANATE
Formula: C10H16N2S2
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COMPUTED DESCRIPTORS

Molecular Weight 228.4 g/mol
XLogP3 5.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 9
Exact Mass 228.07549087 g/mol
Monoisotopic Mass 228.07549087 g/mol
Topological Polar Surface Area 88.9 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 192
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