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19241-18-0

19241-18-0 structural image
Product Name: 2,4,5-TRIMETHYLPHENYL ISOTHIOCYANATE
Formula: C10H11NS
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COMPUTED DESCRIPTORS

Molecular Weight 177.27 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 177.06122053 g/mol
Monoisotopic Mass 177.06122053 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 196
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