GOITRINE Structure

GOITRINE

Chemical Properties

Melting point 47.5°C
Boiling point 150.6±43.0 °C(Predicted)
Density  1.170 (estimate)
refractive index  1.5480 (estimate)
storage temp.  Amber Vial, -20°C Freezer
solubility  DMSO (Slightly), Methanol (Slightly)
form  solid
pka 13.34±0.40(Predicted)
color  White to Off-White
InChI InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m1/s1
InChIKey UZQVYLOFLQICCT-SCSAIBSYSA-N
SMILES O1[C@H](C=C)CNC1=S
FDA UNII 2N815D740R
UNSPSC Code 12352200
NACRES NA.77

Safety

Safety Statements  24/25
WGK Germany  WGK 3
HS Code  29349990
Storage Class 11 - Combustible Solids
Toxicity mouse,LD50,unreported,1260mg/kg (1260mg/kg),Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 483, 1969.

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