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556-27-4

Name (S)-3-(Allylsulphinyl)-L-alanine
CAS 556-27-4
EINECS(EC#) 209-118-9
Molecular Formula C6H11NO3S
MDL Number MFCD01311056
Molecular Weight 177.22
MOL File 556-27-4.mol
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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.  −20°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  solid
pka 1.88±0.10(Predicted)
color  White to off-white
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)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
F  8-10
HS Code  29309090

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Material Safety Data Sheet(MSDS)

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