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279-45-8

279-45-8 structural image
Product Name: 2,5-Dithia-7-azabicyclo[2.2.1]heptane (6CI,7CI,8CI,9CI)
Formula: C4H7NS2
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COMPUTED DESCRIPTORS

Molecular Weight 133.2 g/mol
XLogP3 1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 133.00199157 g/mol
Monoisotopic Mass 133.00199157 g/mol
Topological Polar Surface Area 62.6 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 75.8
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes