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50603-38-8

50603-38-8 structural image
Product Name: 4-(1,3-Dithian-2-yl)benzonitrile, 97%
Formula: C11H11NS2
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COMPUTED DESCRIPTORS

Molecular Weight 221.3 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 221.03329170 g/mol
Monoisotopic Mass 221.03329170 g/mol
Topological Polar Surface Area 74.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 219
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