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175202-05-8

175202-05-8 structural image
Product Name: 2-(ISOPROPYLSULFONYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE
Formula: C8H13NO2S3
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COMPUTED DESCRIPTORS

Molecular Weight 251.4 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 251.01084218 g/mol
Monoisotopic Mass 251.01084218 g/mol
Topological Polar Surface Area 117 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 361
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