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5219-61-4

5219-61-4 structural image
Product Name: PHENYLTHIOACETONITRILE
Formula: C8H7NS
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 149.21 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 149.02992040 g/mol
Monoisotopic Mass 149.02992040 g/mol
Topological Polar Surface Area 49.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 129
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