ChemSpider 2D Image | 2-[3-(Methylsulfonyl)-1-propyn-1-yl]-3-nitrothiophene | C8H7NO4S2

2-[3-(Methylsulfonyl)-1-propyn-1-yl]-3-nitrothiophene

  • Molecular FormulaC8H7NO4S2
  • Average mass245.275 Da
  • Monoisotopic mass244.981644 Da
  • ChemSpider ID89294942

More details:

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

2-[3-(Methylsulfonyl)-1-propin-1-yl]-3-nitrothiophen [German] [ACD/IUPAC Name]
2-[3-(Methylsulfonyl)-1-propyn-1-yl]-3-nitrothiophene [ACD/IUPAC Name]
2-[3-(Méthylsulfonyl)-1-propyn-1-yl]-3-nitrothiophène [French] [ACD/IUPAC Name]
Thiophene, 2-[3-(methylsulfonyl)-1-propyn-1-yl]-3-nitro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 504.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 259.1±28.7 °C
Index of Refraction: 1.617
Molar Refractivity: 56.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.88
ACD/KOC (pH 5.5): 123.69
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.88
ACD/KOC (pH 7.4): 123.69
Polar Surface Area: 117 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 160.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement