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74881-77-9

74881-77-9 structural image
Product Name: PHENYL-D5 ISOTHIOCYANATE
Formula: C7H5NS
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COMPUTED DESCRIPTORS

Molecular Weight 140.22 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 140.04565407 g/mol
Monoisotopic Mass 140.04565407 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 121
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

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