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5008-69-5

5008-69-5 structural image
Product Name: METHYL ISOBUTYL SULFIDE
Formula: C5H12S
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 763 771.7

COMPUTED DESCRIPTORS

Molecular Weight 104.22 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 104.06597156 g/mol
Monoisotopic Mass 104.06597156 g/mol
Topological Polar Surface Area 25.3 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 25.1
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