ChemSpider 2D Image | N-(4-Methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)formamide | C7H6N2O2S2

N-(4-Methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)formamide

  • Molecular FormulaC7H6N2O2S2
  • Average mass214.265 Da
  • Monoisotopic mass213.987061 Da
  • ChemSpider ID25061331

More details:

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

Formamide, N-(4,5-dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)- [ACD/Index Name]
N-(4-Methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)formamid [German] [ACD/IUPAC Name]
N-(4-Methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)formamide [ACD/IUPAC Name]
N-(4-Méthyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)formamide [French] [ACD/IUPAC Name]
1085975-29-6 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 469.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.7±28.7 °C
Index of Refraction: 1.759
Molar Refractivity: 53.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 44.18
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 44.14
Polar Surface Area: 100 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 79.3±5.0 dyne/cm
Molar Volume: 130.3±5.0 cm3

Click to predict properties on the Chemicalize site


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