ChemSpider 2D Image | (E)-2-[4-Hydroxy-2-(methylsulfanyl)-6-(methylsulfonyl)phenyl]diazenecarboxamide | C9H11N3O4S2

(E)-2-[4-Hydroxy-2-(methylsulfanyl)-6-(methylsulfonyl)phenyl]diazenecarboxamide

  • Molecular FormulaC9H11N3O4S2
  • Average mass289.331 Da
  • Monoisotopic mass289.019104 Da
  • ChemSpider ID78434640

More details:

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

(E)-2-[4-Hydroxy-2-(methylsulfanyl)-6-(methylsulfonyl)phenyl]diazencarboxamid [German] [ACD/IUPAC Name]
(E)-2-[4-Hydroxy-2-(methylsulfanyl)-6-(methylsulfonyl)phenyl]diazenecarboxamide [ACD/IUPAC Name]
(E)-2-[4-Hydroxy-2-(méthylsulfanyl)-6-(méthylsulfonyl)phényl]diazènecarboxamide [French] [ACD/IUPAC Name]
Diazenecarboxamide, 2-[4-hydroxy-2-(methylsulfonyl)-6-(methylthio)phenyl]-, (E)- [ACD/Index Name]
Craniformin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 606.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 320.4±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 68.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 45.16
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.57
Polar Surface Area: 156 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 182.9±7.0 cm3

Click to predict properties on the Chemicalize site


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