ChemSpider 2D Image | N-(5-Oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)(~2~H_3_)acetamide | C7H3D3N2O2S2

N-(5-Oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)(2H3)acetamide

  • Molecular FormulaC7H3D3N2O2S2
  • Average mass217.283 Da
  • Monoisotopic mass217.005905 Da
  • ChemSpider ID58780280

  • Non-standard isotope - Non-standard isotope

More details:

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

Acetamide-d3, N-(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)- [ACD/Index Name]
N-(5-Oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)(2H3)acetamid [German] [ACD/IUPAC Name]
N-(5-Oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)(2H3)acetamide [ACD/IUPAC Name]
N-(5-Oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)(2H3)acétamide [French] [ACD/IUPAC 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: 532.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.6±30.1 °C
Index of Refraction: 1.742
Molar Refractivity: 53.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 41.12
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 40.13
Polar Surface Area: 109 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 131.3±5.0 cm3

Click to predict properties on the Chemicalize site


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