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-{2-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylpentanamido]ethoxy}acetic acid
  • {[3-Ethyl-4-(3-oxomorpholin-4-yl)phenyl]sulfanyl}formonitrile
  • 4-[4-Bromo-3-(trifluoromethyl)phenyl]morpholin-3-one
  • N-methyl-4-(3-oxomorpholin-4-yl)benzene-1-sulfonamide
  • N-[4-chloro-3-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide
  • 4-[2-(Ethanesulfonyl)phenyl]morpholin-3-one
  • benzyl N-[2-(1,2-oxazolidin-2-yl)ethyl]carbamate
  • N-[2-methoxy-5-(3-oxomorpholin-4-yl)phenyl]acetamide
  • 2-(4-amino-1H-imidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
  • rac-2-[(1R,5R)-6-aminobicyclo[3.2.0]heptan-6-yl]acetic acid
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