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912627-98-6

912627-98-6 structural image
Product Name: 2‐PHENYL‐D5‐ETHYL ISOTHIOCYANATE
Formula: C9H9NS
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COMPUTED DESCRIPTORS

Molecular Weight 168.27 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 168.07695419 g/mol
Monoisotopic Mass 168.07695419 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 144
Isotope Atom Count 5
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