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81864-47-3

81864-47-3 structural image
Product Name: 6,7-DIHYDRO-1H-[1,4]DIOXINO[2',3':4,5]BENZO[D]IMIDAZOLE-2-THIOL
Formula: C9H8N2O2S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 19.7 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 208.24 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 208.03064868 g/mol
Monoisotopic Mass 208.03064868 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 237
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