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
  • 2-Methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
  • 3-Bromo-4-(2-morpholinoethoxy)aniline
  • 3-(Difluoromethyl)-4-(1H-pyrazol-1-yl)aniline
  • 3-(Difluoromethyl)-4-ethoxyaniline
  • 4-Butoxy-3-(difluoromethyl)aniline
  • 3-(Difluoromethyl)-4-(pentyloxy)aniline
  • Ethanamine, 2-[(6-chloro-5-methyl-4-pyrimidinyl)oxy]-N,N-diethyl-
  • 4-Bromo-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
  • 3-(1-Aminocyclobutyl)benzonitrile
  • B-[2,2'-Bipyridin]-6-ylboronic acid
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