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51812-96-5

51812-96-5 structural image
Product Name: 4-MERCAPTOQUINOLINE
Formula: C9H7NS
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COMPUTED DESCRIPTORS

Molecular Weight 161.23 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 161.02992040 g/mol
Monoisotopic Mass 161.02992040 g/mol
Topological Polar Surface Area 44.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 198
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