ChemSpider 2D Image | (2Z)-(2-Methylphenyl)[(2Z)-2-{[(propylsulfonyl)oxy]imino}-3(2H)-thiophenylidene]acetonitrile | C16H16N2O3S2

(2Z)-(2-Methylphenyl)[(2Z)-2-{[(propylsulfonyl)oxy]imino}-3(2H)-thiophenylidene]acetonitrile

  • Molecular FormulaC16H16N2O3S2
  • Average mass348.440 Da
  • Monoisotopic mass348.060242 Da
  • ChemSpider ID74786512

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-(2-Methylphenyl)[(2Z)-2-{[(propylsulfonyl)oxy]imino}-3(2H)-thiophenyliden]acetonitril [German] [ACD/IUPAC Name]
(2Z)-(2-Methylphenyl)[(2Z)-2-{[(propylsulfonyl)oxy]imino}-3(2H)-thiophenylidene]acetonitrile [ACD/IUPAC Name]
(2Z)-(2-Méthylphényl)[(2Z)-2-{[(propylsulfonyl)oxy]imino}-3(2H)-thiophénylidène]acétonitrile [French] [ACD/IUPAC Name]
852246-55-0 [RN]
Benzeneacetonitrile, 2-methyl-α-[(2Z)-2-[[(propylsulfonyl)oxy]imino]-3(2H)-thienylidene]-, (αZ)- [ACD/Index Name]
PI-45514

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±55.0 °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±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 94.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 345.37
ACD/KOC (pH 5.5): 2283.02
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 345.37
ACD/KOC (pH 7.4): 2283.02
Polar Surface Area: 113 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 274.2±7.0 cm3

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