ChemSpider 2D Image | 3,5-Dinitro-2,3-dihydrothiophene | C4H4N2O4S

3,5-Dinitro-2,3-dihydrothiophene

  • Molecular FormulaC4H4N2O4S
  • Average mass176.151 Da
  • Monoisotopic mass175.989182 Da
  • ChemSpider ID67176534

More details:

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

3,5-Dinitro-2,3-dihydrothiophen [German] [ACD/IUPAC Name]
3,5-Dinitro-2,3-dihydrothiophene [ACD/IUPAC Name]
3,5-Dinitro-2,3-dihydrothiophène [French] [ACD/IUPAC Name]
Thiophene, 2,3-dihydro-3,5-dinitro- [ACD/Index Name]
2,4-dinitrothiolene

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

Density: 1.6±0.1 g/cm3
Boiling Point: 384.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 186.6±27.9 °C
Index of Refraction: 1.618
Molar Refractivity: 38.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 109.2±5.0 cm3

Click to predict properties on the Chemicalize site


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