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588680-36-8

588680-36-8 structural image
Product Name: 3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-methyl-5-(1-methylethyl)-(9CI)
Formula: C6H11N3S
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COMPUTED DESCRIPTORS

Molecular Weight 157.24 g/mol
XLogP3 1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 157.06736854 g/mol
Monoisotopic Mass 157.06736854 g/mol
Topological Polar Surface Area 59.7 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 185
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