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.