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110623-40-0

110623-40-0 structural image
Product Name: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-d imethyl-
Formula: C11H11N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 249.29 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 249.05719778 g/mol
Monoisotopic Mass 249.05719778 g/mol
Topological Polar Surface Area 69.4 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 374
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