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893727-44-1

893727-44-1 structural image
Product Name: 3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-[3-(1-methylethoxy)phenyl]-
Formula: C11H14N4OS
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COMPUTED DESCRIPTORS

Molecular Weight 250.32 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 250.08883226 g/mol
Monoisotopic Mass 250.08883226 g/mol
Topological Polar Surface Area 95 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 331
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