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64805-64-7

64805-64-7 structural image
Product Name: S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate
Formula: C6H9ClO2S
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COMPUTED DESCRIPTORS

Molecular Weight 180.65 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 180.0011784 g/mol
Monoisotopic Mass 180.0011784 g/mol
Topological Polar Surface Area 59.4 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 147
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