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36289-45-9

36289-45-9 structural image
Product Name: N-(3-THIOXO-3H-1,2,4-DITHIAZOL-5-YL)PROPANAMIDE
Formula: C5H6N2OS3
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COMPUTED DESCRIPTORS

Molecular Weight 206.3 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 205.96422634 g/mol
Monoisotopic Mass 205.96422634 g/mol
Topological Polar Surface Area 124 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 226
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