ChemSpider 2D Image | 3-Amino-6-methyl-5-(methylsulfanyl)-2,4-biphenyldicarbonitrile | C16H13N3S

3-Amino-6-methyl-5-(methylsulfanyl)-2,4-biphenyldicarbonitrile

  • Molecular FormulaC16H13N3S
  • Average mass279.359 Da
  • Monoisotopic mass279.083008 Da
  • ChemSpider ID23270332

More details:

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

[1,1'-Biphenyl]-2,4-dicarbonitrile, 3-amino-6-methyl-5-(methylthio)- [ACD/Index Name]
3-Amino-6-methyl-5-(methylsulfanyl)-2,4-biphenyldicarbonitril [German] [ACD/IUPAC Name]
3-Amino-6-methyl-5-(methylsulfanyl)-2,4-biphenyldicarbonitrile [ACD/IUPAC Name]
3-Amino-6-méthyl-5-(méthylsulfanyl)-2,4-biphényldicarbonitrile [French] [ACD/IUPAC Name]
3-amino-6-methyl-5-(methylsulfanyl)biphenyl-2,4-dicarbonitrile
3-amino-6-methyl-5-methylsulfanyl-biphenyl-2,4-dicarbonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 491.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 250.8±28.7 °C
Index of Refraction: 1.667
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 771.84
ACD/KOC (pH 5.5): 4059.71
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 771.84
ACD/KOC (pH 7.4): 4059.71
Polar Surface Area: 99 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 218.8±5.0 cm3

Click to predict properties on the Chemicalize site


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