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3698-95-1

3698-95-1 structural image
Product Name: METHYL N-OCTYL SULFIDE
Formula: C9H20S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid with an unpleasant odor; [Chevron Phillips MSDS]
Solubility Soluble in water
Density 0.840-0.860 (20°)
Refractive Index 1.445-1.465
Kovats Retention Index 1217 1217
Chemical Classes Other Classes -> Sulfur Compounds

COMPUTED DESCRIPTORS

Molecular Weight 160.32 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 7
Exact Mass 160.12857181 g/mol
Monoisotopic Mass 160.12857181 g/mol
Topological Polar Surface Area 25.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 52.7
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