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138417-37-5

138417-37-5 structural image
Product Name: 4-METHYL-5-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Formula: C10H11N3S
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COMPUTED DESCRIPTORS

Molecular Weight 205.28 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 205.06736854 g/mol
Monoisotopic Mass 205.06736854 g/mol
Topological Polar Surface Area 59.7 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 267
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