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98968-26-4

98968-26-4 structural image
Product Name: 2-BENZYLSULFANYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-5,7-DIOL
Formula: C12H10N4O2S
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COMPUTED DESCRIPTORS

Molecular Weight 274.30 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 274.05244675 g/mol
Monoisotopic Mass 274.05244675 g/mol
Topological Polar Surface Area 105 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 384
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