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542-90-5

542-90-5 structural image
Product Name: Ethylthiocyanate
Formula: C3H5NS
Synonyms: Ethyl rhodanide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Ethylthiocyanate is a liquid. Used as an agricultural insecticide. (EPA, 1998)
Color/Form Volatile liquid
Boiling Point 295 °F at 760 mmHg (EPA, 1998)
Melting Point -122 °F (EPA, 1998)
Solubility Insoluble in water; miscible in ethanol, ethyl ether; soluble in chloroform
Density 1.007 at 73.4 °F (EPA, 1998) - Denser than water; will sink
Vapor Pressure 4.83 [mmHg]
Decomposition When heated to decomposition it emits very toxic fumes of NOx and SOx.
Refractive Index Index of refraction: 1.4684 @ 15 °C/D
Chemical Classes Pesticides -> Other Insecticides

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 87.15 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 87.01427034 g/mol
Monoisotopic Mass 87.01427034 g/mol
Topological Polar Surface Area 49.1 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 51.2
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

Ethylthiocyanate is a liquid. Used as an agricultural insecticide. (EPA, 1998)