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175202-50-3

175202-50-3 structural image
Product Name: 6,6-DIMETHYL-3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE
Formula: C12H13NOS2
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 251.4 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 251.04385639 g/mol
Monoisotopic Mass 251.04385639 g/mol
Topological Polar Surface Area 94.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 357
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