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5803-95-2

5803-95-2 structural image
Product Name: 3H-1,2,4-Triazole-3-thione, 5-methyl-
Formula: C3H3N3S
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COMPUTED DESCRIPTORS

Molecular Weight 113.14 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 113.00476828 g/mol
Monoisotopic Mass 113.00476828 g/mol
Topological Polar Surface Area 69.2 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 158
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