ChemSpider 2D Image | [2-(4-Methylbenzoyl)-3,3-bis(methylsulfanyl)-2-propen-1-ylidene]malononitrile | C16H14N2OS2

[2-(4-Methylbenzoyl)-3,3-bis(methylsulfanyl)-2-propen-1-ylidene]malononitrile

  • Molecular FormulaC16H14N2OS2
  • Average mass314.425 Da
  • Monoisotopic mass314.054749 Da
  • ChemSpider ID21118793

More details:

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

[2-(4-Methylbenzoyl)-3,3-bis(methylsulfanyl)-2-propen-1-ylidene]malononitrile [ACD/IUPAC Name]
[2-(4-Méthylbenzoyl)-3,3-bis(méthylsulfanyl)-2-propén-1-ylidène]malononitrile [French] [ACD/IUPAC Name]
Propanedinitrile, 2-[2-(4-methylbenzoyl)-3,3-bis(methylthio)-2-propen-1-ylidene]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 395.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 193.2±27.9 °C
Index of Refraction: 1.618
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.98
ACD/KOC (pH 5.5): 1636.88
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.98
ACD/KOC (pH 7.4): 1636.88
Polar Surface Area: 115 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 254.1±3.0 cm3

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