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31613-04-4

31613-04-4 structural image
Product Name: 3,6-DIMETHYLDIBENZOTHIOPHENE
Formula: C14H12S
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 332.88 333.44

COMPUTED DESCRIPTORS

Molecular Weight 212.31 g/mol
XLogP3 5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 212.06597156 g/mol
Monoisotopic Mass 212.06597156 g/mol
Topological Polar Surface Area 28.2 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 238
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