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1083246-51-8

1083246-51-8 structural image
Product Name: Isothiazol-4-ylMethanaMine
Formula: C4H6N2S
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COMPUTED DESCRIPTORS

Molecular Weight 114.17 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 114.02516937 g/mol
Monoisotopic Mass 114.02516937 g/mol
Topological Polar Surface Area 67.2 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 57.7
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