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35620-72-5

35620-72-5 structural image
Product Name: 2-(PHENYLTHIO)NICOTINIC ACID
Formula: C12H9NO2S
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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
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P271:Use only outdoors or in a well-ventilated area.

COMPUTED DESCRIPTORS

Molecular Weight 231.27 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 231.03539970 g/mol
Monoisotopic Mass 231.03539970 g/mol
Topological Polar Surface Area 75.5 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 241
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-(Phenylthio)nicotinic acid is an aryl sulfide.