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6097-27-4

6097-27-4 structural image
Product Name: 4-METHYLPHENACYL THIOCYANATE
Formula: C10H9NOS
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 191.25 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 191.04048508 g/mol
Monoisotopic Mass 191.04048508 g/mol
Topological Polar Surface Area 66.2 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 222
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

PRODUCT INTRODUCTION

description

2-(4-methylphenyl)-2-oxoethyl thiocyanate is an aromatic ketone.