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52017-46-6

52017-46-6 structural image
Product Name: Butyl Methanethiosulfonate
Formula: C5H12O2S2
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COMPUTED DESCRIPTORS

Molecular Weight 168.3 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 168.02787197 g/mol
Monoisotopic Mass 168.02787197 g/mol
Topological Polar Surface Area 67.8 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 143
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