ChemSpider 2D Image | Sulforaphen | C6H9NOS2

Sulforaphen

  • Molecular FormulaC6H9NOS2
  • Average mass175.272 Da
  • Monoisotopic mass175.012558 Da
  • ChemSpider ID34992543

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(1E)-4-Isothiocyanato-1-buten-1-yl](methyl)sulfoniumolat [German] [ACD/IUPAC Name]
[(1E)-4-Isothiocyanato-1-buten-1-yl](methyl)sulfoniumolate [ACD/IUPAC Name]
[(1E)-4-Isothiocyanato-1-butén-1-yl](méthyl)sulfoniumolate [French] [ACD/IUPAC Name]
1-Butene, 4-isothiocyanato-1-(methylsulfinyl)-, [R-(E)]-
2404-46-8 [RN]
592-95-0 [RN]
Sulfonium, hydroxy[(1E)-4-isothiocyanato-1-buten-1-yl]methyl-, inner salt [ACD/Index Name]
Sulforaphen

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCO9MC39IO [DBID]
UNII:NCO9MC39IO [DBID]
UNII-NCO9MC39IO [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.567
Molar Refractivity: 49.2±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 68 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 150.6±7.0 cm3

Click to predict properties on the Chemicalize site


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