96853-12-2
Product Name:
2-(TERT-BUTYLSULFANYL)-4,6-DIMETHYLNICOTINONITRILE
Formula:
C12H16N2S
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COMPUTED DESCRIPTORS
Molecular Weight | 220.34 g/mol |
---|---|
XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Exact Mass | 220.10341969 g/mol |
Monoisotopic Mass | 220.10341969 g/mol |
Topological Polar Surface Area | 62 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 261 |
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 |