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4430-49-3

4430-49-3 structural image
Product Name: ISOTHIOCYANATOPHENYL SULFONE
Formula: C14H8N2O2S3
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COMPUTED DESCRIPTORS

Molecular Weight 332.4 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 331.97479102 g/mol
Monoisotopic Mass 331.97479102 g/mol
Topological Polar Surface Area 131 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 497
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