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
  • (1E)-2,2-Dichloro-1-phenylethanone oxime
  • 4-({[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}methyl)benzoic acid
  • dimethyl (2R,6S)-1-formyl-4-hydroxypiperidine-2,6-dicarboxylate
  • (5-Bromo-2-chloro-pyrimidin-4-yl)-isobutyl-amine
  • 1-(4-Ethoxy-2-fluoro-phenyl)-piperazine
  • 3-Methyl-4-nitrocatechol
  • 5-(1,2,4-Oxadiazol-3-yl)thiophene-2-carbaldehyde
  • 4-(1,2,4-Oxadiazol-3-yl)thiophene-3-carbaldehyde
  • 4-Methyl-1H-pyrazole-3-sulfonamide
  • rac-(3R,6R)-3-amino-6-phenylpiperidin-2-one
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