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1001-58-7

1001-58-7 structural image
Product Name: 3-mercaptopropiononitrile
Formula: C3H5NS
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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 87.15 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 87.01427034 g/mol
Monoisotopic Mass 87.01427034 g/mol
Topological Polar Surface Area 24.8 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 51.2
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