Sulforaphene
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Sulforaphene
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CAS No:
592-95-0
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Formula:
C6H9NOS2
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Chemical Name:
Sulforaphene
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Synonyms:
1-Butene,4-isothiocyanato-1-(methylsulfinyl)-;Isothiocyanic acid,4-(methylsulfinyl)-3-butenyl ester;Sulforaphen;4-Isothiocyanato-1-(methylsulfinyl)-1-butene;Sulforaphene;Raphanin;4-Methylsulfinylbut-3-enyl isothiocyanate;4-Methylsulfinyl-3-butenyl isothiocyanate;LFS 01;1393-06-2
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CAS No:
Description
Sulforaphene, isolated from radish seeds, exhibits an ED50 against velvetleaf seedlings approximately 2 x 10-4 M. Sulforaphene promotes cancer cells apoptosis and inhibits migration via inhibiting EGFR, p-ERK1/2, NF‐κB and other signals[1][2][3][4].
Characteristics
80.7
0.47
Slightly yellowish liquid.
1.2±0.1 g/cm3
135 °C
172.8±27.9 °C
1.567
D19 -107° (c = 1.37 in chloroform); D14 -136° (c = 1.38 in alcohol)
Computed Properties
Molecular Weight:175.3
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:175.01255626
Monoisotopic Mass:175.01255626
Topological Polar Surface Area:80.7
Heavy Atom Count:10
Complexity:182
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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