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26029-08-3

26029-08-3 structural image
Product Name: 5-phenyl-4-propyl-4H-1,2,4-triazole-3-thiol
Formula: C11H13N3S
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COMPUTED DESCRIPTORS

Molecular Weight 219.31 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 219.08301860 g/mol
Monoisotopic Mass 219.08301860 g/mol
Topological Polar Surface Area 59.7 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 269
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