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85109-44-0

85109-44-0 structural image
Product Name: 3-ISOTHIOCYANATO-TETRAHYDRO-THIOPHENE 1,1-DIOXIDE
Formula: C5H7NO2S2
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COMPUTED DESCRIPTORS

Molecular Weight 177.2 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 176.99182081 g/mol
Monoisotopic Mass 176.99182081 g/mol
Topological Polar Surface Area 87 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 258
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes