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67330-54-5

67330-54-5 structural image
Product Name: 2-Ethyl-6-isopropylphenyl isothiocyanate
Formula: C12H15NS
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COMPUTED DESCRIPTORS

Molecular Weight 205.32 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 205.09252066 g/mol
Monoisotopic Mass 205.09252066 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 218
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