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592-95-0

592-95-0 structure
592-95-0 structure
  • Name: (1E)-4-Isothiocyanato-1-(methylsulfinyl)-1-butene
  • Chemical Name: Sulforaphene
  • CAS Number: 592-95-0
  • Molecular Formula: C6H9NOS2
  • Molecular Weight: 175.272
  • Catalog: Biochemical Chinese herbal medicine ingredients
  • Create Date: 2018-08-06 18:21:22
  • Modify Date: 2026-07-01 13:51:57
  • 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].

Name Sulforaphene
Synonyms Sulforaphen (6CI)
(E)-4-Isothiocyanato-1-(methylsulfinyl)-1-butene
4-ISOTHIOCYANATO-4R(METHYLSULFINYL)-1-BUTENE
isothiocyanicacid,4-(methylsulfinyl)-3-butenylester
4-isothiocyanato-1-(methylsulfinyl)-1-butene
(-)4 ISOTHIOCYANATO-4R-METHYLSULFINYL)-1-BUTENE
4-Methylsulfinyl-3-butenyl-isothiocyanat (Sulphoraphen)
1-Butene,4-isothiocyanato-1-(Methylsulfinyl)
Isothiocyanicacid, 4-(methylsulfinyl)-3-butenyl ester (7CI,8CI)
RAPHANIN
L-SULFORAPHENE
Sulforaphene, 10 mM in DMSO
4-isothiocyanato-1-(methylsulfinyl)-1-buten
Sul aphene
4-Methylsulfinylbut-3-enyl isothiocyanate
Sulforaphene //BP
(-)4-ISOTHIOCYANATO-4S-(METHYLSULFINYL)-1-BUTENE
SULFORAPHANE, DL-(SH)
(-)-4-ISOTHIOCYANATO-(1R)-(METHYLSULFINYL)-1-BUTENE
SULFORAPHANE,DL-(SH)
S-SULFORAPHENE
Sulphoraphen
SULFORAPHENE,L
4-methylsulfinyl-3-butenyl isothiocyanate
(-)-4-ISOTHIOCYANATO-(1S)-(METHYLSUFINYL)-1-BUTENE
SULFORAPHENE, L
L-SULPHORAPHENE
4-Isothiocyanato-1-(methylsulfinyl)but-1-ene
S-Sulforaphenefromradishseeds
sulforaphene
sativin
Density 1.2±0.1 g/cm3
Boiling Point 362.2±42.0 °C at 760 mmHg
Molecular Formula C6H9NOS2
Molecular Weight 175.272
Flash Point 172.8±27.9 °C
Exact Mass 175.012558
PSA 80.73000
LogP 0.47
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.567

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8944000
CHEMICAL NAME :
Isothiocyanic acid, 4-(methylsulfinyl)-3-butenyl ester
CAS REGISTRY NUMBER :
592-95-0
LAST UPDATED :
199206
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H9-N-O-S2
MOLECULAR WEIGHT :
175.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(2),357,1982
Precursor  2

DownStream  0

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