ChemSpider 2D Image | N-(1,1-Dioxidotetrahydro-3-thiophenyl)-1-methyl-4-nitro-1H-imidazol-5-amine | C8H12N4O4S

N-(1,1-Dioxidotetrahydro-3-thiophenyl)-1-methyl-4-nitro-1H-imidazol-5-amine

  • Molecular FormulaC8H12N4O4S
  • Average mass260.270 Da
  • Monoisotopic mass260.057922 Da
  • ChemSpider ID32854707

More details:

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

1H-Imidazol-5-amine, 1-methyl-4-nitro-N-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
N-(1,1-Dioxidotetrahydro-3-thiophenyl)-1-methyl-4-nitro-1H-imidazol-5-amin [German] [ACD/IUPAC Name]
N-(1,1-Dioxidotetrahydro-3-thiophenyl)-1-methyl-4-nitro-1H-imidazol-5-amine [ACD/IUPAC Name]
N-(1,1-Dioxydotétrahydro-3-thiophényl)-1-méthyl-4-nitro-1H-imidazol-5-amine [French] [ACD/IUPAC Name]
3-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]-1??-thiolane-1,1-dione

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

Density: 1.7±0.1 g/cm3
Boiling Point: 645.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.4±31.5 °C
Index of Refraction: 1.729
Molar Refractivity: 59.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.17
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.18
Polar Surface Area: 118 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 79.6±7.0 dyne/cm
Molar Volume: 149.4±7.0 cm3

Click to predict properties on the Chemicalize site


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