1-isothiocyanato-4-[(S)-methylsulfinyl]butane

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Names

[ CAS No. ]:
155320-20-0

[ Name ]:
1-isothiocyanato-4-[(S)-methylsulfinyl]butane

[Synonym ]:
(-)-Sulphoraphan
(R)-4-Methansulfinyl-butylisothiocyanat
(R)-(4-Isothiocyanato-butyl)-methyl-sulfoxid
(R)-4-methanesulfinyl-butyl isothiocyanate
Sulforaphane,(S)
UNII-7J94TPZ10L
(+)-Sulforaphane
(S)-4-Methansulfinyl-butylisothiocyanat
(S)-sulforaphane
(-)1-Isothiocyanato-4R-methylsulfinyl)butane
Butane,1-isothiocyanato-4-((S)-methylsulfinyl)

Chemical & Physical Properties

[ Density]:
1.177g/cm3

[ Boiling Point ]:
368.164ºC at 760 mmHg

[ Molecular Formula ]:
C6H11NOS2

[ Molecular Weight ]:
177.28800

[ Flash Point ]:
176.459ºC

[ Exact Mass ]:
177.02800

[ PSA ]:
80.73000

[ LogP ]:
2.11360

[ Vapour Pressure ]:
0mmHg at 25°C

[ Index of Refraction ]:
1.567

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • L-Sulforaphane
  • DL-Sulforaphane
  • 1-chloro-4-[[(S)-methylsulfinyl]methyl]benzene
  • 1-isothiocyanato-4-methylsulfinylbenzene
  • 1-isothiocyanato-4-methylsulfonylbenzene
  • 1-Isothiocyanato-4-nitronaphthalene
  • (4-((4-Methylphenyl)sulfonamido)phenyl)boronic acid
  • 2-(3-Bromopyridin-2-YL)acetaldehyde
  • Ethyl 3-[5-(hydroxymethyl)pyridin-2-yl]propanoate
  • CID 53359533
  • 3,5-Bis(trifluoromethyl)-4-chlorophenylacetic acid
  • 1-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
  • N-cyclohexyl-1-phenethyl-piperidin-4-amine
  • (2S)-2-Amino-3-(cyclohexyloxy)propanoic acid
  • 1H-Indole-2-propanoic acid, 3-[(1,1-dimethylethyl)thio]-1-[[4-(6-ethoxy-3-pyridinyl)phenyl]methyl]-alpha,alpha-dimethyl-5-[(5-methyl-2-pyridinyl)methoxy]-, ethyl ester
  • 1'-(2h-Indazol-5-Ylcarbonyl)-1-(Propan-2-Yl)-1,4-Dihydrospiro[indazole-5,4'-Piperidin]-7(6h)-One
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