ChemSpider 2D Image | 3-[(E)-2-(2,4,6-Trinitrophenyl)vinyl]thiophene | C12H7N3O6S

3-[(E)-2-(2,4,6-Trinitrophenyl)vinyl]thiophene

  • Molecular FormulaC12H7N3O6S
  • Average mass321.266 Da
  • Monoisotopic mass321.005554 Da
  • ChemSpider ID28568766

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(E)-2-(2,4,6-Trinitrophenyl)vinyl]thiophen [German] [ACD/IUPAC Name]
3-[(E)-2-(2,4,6-Trinitrophenyl)vinyl]thiophene [ACD/IUPAC Name]
3-[(E)-2-(2,4,6-Trinitrophényl)vinyl]thiophène [French] [ACD/IUPAC Name]
Thiophene, 3-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]- [ACD/Index Name]
190083-85-3 [RN]
THIOPHENE, 3-[2-(2,4,6-TRINITROPHENYL)ETHENYL]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 452.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 227.6±28.7 °C
Index of Refraction: 1.764
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.05
ACD/KOC (pH 5.5): 1488.73
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.05
ACD/KOC (pH 7.4): 1488.73
Polar Surface Area: 166 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 80.3±3.0 dyne/cm
Molar Volume: 197.6±3.0 cm3

Click to predict properties on the Chemicalize site


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