ChemSpider 2D Image | 5-Isothiocyanato-2-[2-(3-isothiocyanato-5-sulfophenyl)ethyl]benzenesulfonic acid | C16H12N2O6S4

5-Isothiocyanato-2-[2-(3-isothiocyanato-5-sulfophenyl)ethyl]benzenesulfonic acid

  • Molecular FormulaC16H12N2O6S4
  • Average mass456.536 Da
  • Monoisotopic mass455.957825 Da
  • ChemSpider ID78315224

More details:

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

5-Isothiocyanato-2-[2-(3-isothiocyanato-5-sulfophenyl)ethyl]benzenesulfonic acid [ACD/IUPAC Name]
5-Isothiocyanato-2-[2-(3-isothiocyanato-5-sulfophenyl)ethyl]benzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 5-isothiocyanato-2-[2-(3-isothiocyanato-5-sulfophényl)éthyl]benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 5-isothiocyanato-2-[2-(3-isothiocyanato-5-sulfophenyl)ethyl]- [ACD/Index Name]
126550-86-5 [RN]

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: 1.693
Molar Refractivity: 113.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 295.0±7.0 cm3

Click to predict properties on the Chemicalize site


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