ChemSpider 2D Image | 2-[(E)-2-(4,4-Diisothiocyanato-2-sulfo-1,5-cyclohexadien-1-yl)vinyl]benzenesulfonic acid | C16H12N2O6S4

2-[(E)-2-(4,4-Diisothiocyanato-2-sulfo-1,5-cyclohexadien-1-yl)vinyl]benzenesulfonic acid

  • Molecular FormulaC16H12N2O6S4
  • Average mass456.536 Da
  • Monoisotopic mass455.957825 Da
  • ChemSpider ID67026903

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(E)-2-(4,4-Diisothiocyanato-2-sulfo-1,5-cyclohexadien-1-yl)vinyl]benzenesulfonic acid [ACD/IUPAC Name]
2-[(E)-2-(4,4-Diisothiocyanato-2-sulfo-1,5-cyclohexadien-1-yl)vinyl]benzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 2-[(E)-2-(4,4-diisothiocyanato-2-sulfo-1,5-cyclohexadién-1-yl)vinyl]benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-[(E)-2-(4,4-diisothiocyanato-2-sulfo-1,5-cyclohexadien-1-yl)ethenyl]- [ACD/Index Name]
4,4-diisothiocyanostilbene-2,2'-disulfonic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 300.4±7.0 cm3

Click to predict properties on the Chemicalize site


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