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208264-95-3

208264-95-3 structural image
Product Name: 2-(Methylthio)-1-(4-pyridinyl)ethanone
Formula: C8H9NOS
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COMPUTED DESCRIPTORS

Molecular Weight 167.23 g/mol
XLogP3 1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 167.04048508 g/mol
Monoisotopic Mass 167.04048508 g/mol
Topological Polar Surface Area 55.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 132
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