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6957-85-3

6957-85-3 structural image
Product Name: 2H-BENZO[4,5]THIAZOLO[2,3-C][1,2,4]TRIAZOLE-3-THIONE
Formula: C8H5N3S2
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COMPUTED DESCRIPTORS

Molecular Weight 207.3 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 206.99248952 g/mol
Monoisotopic Mass 206.99248952 g/mol
Topological Polar Surface Area 85 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 289
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