ChemSpider 2D Image | 5-[(4-Methylphenyl)sulfonyl]-4-nitro-2-thiophenecarbonitrile | C12H8N2O4S2

5-[(4-Methylphenyl)sulfonyl]-4-nitro-2-thiophenecarbonitrile

  • Molecular FormulaC12H8N2O4S2
  • Average mass308.333 Da
  • Monoisotopic mass307.992554 Da
  • ChemSpider ID27452058

More details:

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

2-Thiophenecarbonitrile, 5-[(4-methylphenyl)sulfonyl]-4-nitro- [ACD/Index Name]
5-[(4-Methylphenyl)sulfonyl]-4-nitro-2-thiophencarbonitril [German] [ACD/IUPAC Name]
5-[(4-Methylphenyl)sulfonyl]-4-nitro-2-thiophenecarbonitrile [ACD/IUPAC Name]
5-[(4-Méthylphényl)sulfonyl]-4-nitro-2-thiophènecarbonitrile [French] [ACD/IUPAC Name]
5-(4-METHYLBENZENESULFONYL)-4-NITROTHIOPHENE-2-CARBONITRILE
5-[(4-methylphenyl)sulfonyl]-4-nitrothiophene-2-carbonitrile

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

Density: 1.6±0.1 g/cm3
Boiling Point: 522.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.6±30.1 °C
Index of Refraction: 1.669
Molar Refractivity: 73.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.21
ACD/KOC (pH 5.5): 408.56
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.21
ACD/KOC (pH 7.4): 408.56
Polar Surface Area: 140 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 77.1±5.0 dyne/cm
Molar Volume: 197.4±5.0 cm3

Click to predict properties on the Chemicalize site


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