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92412-67-4

92412-67-4 structural image
Product Name: 1-ISOTHIOCYANATO-4-(TRANS-4-PROPYL-
Formula: C16H21NS
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COMPUTED DESCRIPTORS

Molecular Weight 259.4 g/mol
XLogP3 7.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 259.13947085 g/mol
Monoisotopic Mass 259.13947085 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 280
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