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135-59-1

135-59-1 structural image
Product Name: THIONIN
Formula: C12H10ClN3S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Sigma-Aldrich MSDS]
Chemical Classes Dyes -> Azine Dyes

COMPUTED DESCRIPTORS

Molecular Weight 227.29 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 227.05171847 g/mol
Monoisotopic Mass 227.05171847 g/mol
Topological Polar Surface Area 87.5 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 422
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