ChemSpider 2D Image | 5-(Benzoylamino)-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)vinyl]benzenesulfonic acid | C22H16N2O7S3

5-(Benzoylamino)-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)vinyl]benzenesulfonic acid

  • Molecular FormulaC22H16N2O7S3
  • Average mass516.567 Da
  • Monoisotopic mass516.011963 Da
  • ChemSpider ID4948001
  • Double-bond stereo - Double-bond stereo


More details:






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

5-(Benzoylamino)-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)vinyl]benzenesulfonic acid [ACD/IUPAC Name]
5-(Benzoylamino)-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)vinyl]benzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 5-(benzoylamino)-2-[(E)-2-(4-isothiocyanato-2-sulfophényl)vinyl]benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 5-(benzoylamino)-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]- [ACD/Index Name]
4-Benzamido-4'-isothiocyanostilbene-2,2'-disulfonate
78543-24-5 [RN]
Benzenesulfonic acid, 5-(benzoylamino)-2-(2-(4-isothiocyanato-2-sulfophenyl)ethenyl)-
BIDS

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 131.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.91
ACD/LogD (pH 5.5): -3.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 351.3±7.0 cm3

Click to predict properties on the Chemicalize site






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