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(S)-3-(Allylsulphinyl)-L-alanine Structure

(S)-3-(Allylsulphinyl)-L-alanine

Chemical Properties

Melting point 164-166° (effervescence)
alpha  D20 +63.5° (c = 2)
Boiling point 416.1±45.0 °C(Predicted)
Density  1.205 (estimate)
refractive index  1.5500 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  solid
pka 1.88±0.10(Predicted)
Merck  13,259
InChI InChI=1/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/s3
InChIKey XUHLIQGRKRUKPH-DYEAUMGKSA-N
SMILES C(O)(=O)[C@H](C[S@](CC=C)=O)N |&1:3,5,r|
LogP -0.478 (est)
CAS DataBase Reference 556-27-4(CAS DataBase Reference)
FDA UNII 7I4L2D0E9G

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26
WGK Germany  3
F  8-10
HS Code  29309090
NFPA 704:
0
2 0

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