81864-47-3
Product Name:
6,7-DIHYDRO-1H-[1,4]DIOXINO[2',3':4,5]BENZO[D]IMIDAZOLE-2-THIOL
Formula:
C9H8N2O2S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 19.7 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 208.24 g/mol |
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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 |