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210905-75-2

210905-75-2 structural image
Product Name: Benzene, 1-ethynyl-3-(methylthio)- (9CI)
Formula: C9H8S
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COMPUTED DESCRIPTORS

Molecular Weight 148.23 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 148.03467143 g/mol
Monoisotopic Mass 148.03467143 g/mol
Topological Polar Surface Area 25.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 142
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