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590376-67-3

590376-67-3 structural image
Product Name: 4-ALLYL-5-ISOPROPYL-4H-1,2,4-TRIAZOLE-3-THIOL
Formula: C8H13N3S
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COMPUTED DESCRIPTORS

Molecular Weight 183.28 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 183.08301860 g/mol
Monoisotopic Mass 183.08301860 g/mol
Topological Polar Surface Area 59.7 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 233
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