ChemSpider 2D Image | 2,5-Disulfanylbenzonitrile | C7H5NS2

2,5-Disulfanylbenzonitrile

  • Molecular FormulaC7H5NS2
  • Average mass167.251 Da
  • Monoisotopic mass166.986343 Da
  • ChemSpider ID60834248

More details:






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

2,5-Disulfanylbenzonitril [German] [ACD/IUPAC Name]
2,5-Disulfanylbenzonitrile [ACD/IUPAC Name]
2,5-Disulfanylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2,5-dimercapto- [ACD/Index Name]
168981-33-7 [RN]
MFCD22481800

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

Density: 1.3±0.1 g/cm3
Boiling Point: 319.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 146.9±26.5 °C
Index of Refraction: 1.655
Molar Refractivity: 47.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 6.71
ACD/KOC (pH 5.5): 78.91
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 101 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 128.1±5.0 cm3

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