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4163-79-5

4163-79-5 structural image
Product Name: 2,6-DIMETHYLTHIOANISOLE
Formula: C9H12S
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1259.3 1256 1256

COMPUTED DESCRIPTORS

Molecular Weight 152.26 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 152.06597156 g/mol
Monoisotopic Mass 152.06597156 g/mol
Topological Polar Surface Area 25.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 90.9
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