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13190-34-6

13190-34-6 structural image
Product Name: DL-GOITRIN
Formula: C5H7NOS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index]
Color/Form Large prisms from ether
Melting Point 50 °C
Stability/Shelf Life Stable in alkali, but not in acid.
Optical Rotation Specific optical rotation at 31 °C for D (sodium) line = -70.5 deg (c=2 in methanol).
Dissociation Constants pKa = 10.5
Chemical Classes Biological Agents -> Plant Toxins

SAFETY INFORMATION

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 P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 129.18 g/mol
XLogP3 1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 129.02483502 g/mol
Monoisotopic Mass 129.02483502 g/mol
Topological Polar Surface Area 53.4 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 124
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

5-ethenyl-1,3-oxazolidine-2-thione is a member of the class of oxazolidines that is 1,3-oxazolidine substituted by sulfanylidene and ethenyl groups at positions 2 and 5, respectively. It is a member of oxazolidines and an olefinic compound.