860440-91-1
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 |