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112440-49-0

112440-49-0 structural image
Product Name: 3-(CYANOMETHYL)-2,4,5-TRIMETHYLTHIOPHENE
Formula: C9H11NS
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 165.26 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 165.06122053 g/mol
Monoisotopic Mass 165.06122053 g/mol
Topological Polar Surface Area 52 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 181
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