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175136-94-4

175136-94-4 structural image
Product Name: 1,4-DITHIANE-2-CARBONITRILE
Formula: C5H7NS2
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COMPUTED DESCRIPTORS

Molecular Weight 145.3 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 145.00199157 g/mol
Monoisotopic Mass 145.00199157 g/mol
Topological Polar Surface Area 74.4 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 115
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