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860440-91-1

860440-91-1 structural image
Product Name: 1-[(4-ISOTHIOCYANATOPHENYL)SULFONYL]-2-METHYLPIPERIDINE
Formula: C13H16N2O2S2
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COMPUTED DESCRIPTORS

Molecular Weight 296.4 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 296.06532010 g/mol
Monoisotopic Mass 296.06532010 g/mol
Topological Polar Surface Area 90.2 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 444
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes