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592-95-0

Name Sulforaphene
CAS 592-95-0
Molecular Formula C6H9NOS2
MDL Number MFCD00189462
Molecular Weight 175.27
MOL File 592-95-0.mol

Chemical Properties

alpha  D19 -107° (c = 1.37 in chloroform); D14 -136° (c = 1.38 in alcohol)
Boiling point  bp0.015 125-130°
density  1.16±0.1 g/cm3(Predicted)
storage temp.  Refrigerator, Under inert atmosphere
solubility  Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly), Ethylacetate (Slightly)
form  Slightly yellowish liquid.
color  Colourless to Yellow
InChI InChI=1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3
InChIKey QKGJFQMGPDVOQE-UHFFFAOYSA-N
SMILES C(S(C)=O)=CCCN=C=S
CAS DataBase Reference 592-95-0

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