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16630-56-1

16630-56-1 structural image
Product Name: 3-METHYL-1-BUTANETHIOL
Formula: C5H12OS
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COMPUTED DESCRIPTORS

Molecular Weight 120.22 g/mol
XLogP3 1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 120.06088618 g/mol
Monoisotopic Mass 120.06088618 g/mol
Topological Polar Surface Area 45.5 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 39.1
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