ChemSpider 2D Image | 2,2'-(1,2-Ethanediyl)bis(4-isothiocyanatobenzenesulfonic acid) | C16H12N2O6S4

2,2'-(1,2-Ethanediyl)bis(4-isothiocyanatobenzenesulfonic acid)

  • Molecular FormulaC16H12N2O6S4
  • Average mass456.536 Da
  • Monoisotopic mass455.957825 Da
  • ChemSpider ID28682699

More details:

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

2,2'-(1,2-Ethandiyl)bis(4-isothiocyanatobenzolsulfonsäure) [German] [ACD/IUPAC Name]
2,2'-(1,2-Ethanediyl)bis(4-isothiocyanatobenzenesulfonic acid) [ACD/IUPAC Name]
Acide 2,2'-(1,2-éthanediyl)bis(4-isothiocyanatobenzènesulfonique) [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2,2'-(1,2-ethanediyl)bis[4-isothiocyanato- [ACD/Index Name]
137911-08-1 [RN]
2,2'-(Ethane-1,2-diyl)bis(4-isothiocyanatobenzene-1-sulfonic 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: 1.693
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: 4.17
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.27
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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