ChemSpider 2D Image | N-(4-Methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)pentanamide | C11H14N2O2S2

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

  • Molecular FormulaC11H14N2O2S2
  • Average mass270.371 Da
  • Monoisotopic mass270.049683 Da
  • ChemSpider ID25033975

More details:

Featured data source
Natural Product Updates

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

N-(4-Methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)pentanamid [German] [ACD/IUPAC Name]
N-(4-Methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)pentanamide [ACD/IUPAC Name]
N-(4-Méthyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)pentanamide [French] [ACD/IUPAC Name]
Pentanamide, N-(4,5-dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)- [ACD/Index Name]
valerylpyrrothine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 487.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.6±28.7 °C
Index of Refraction: 1.656
Molar Refractivity: 71.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.17
ACD/KOC (pH 5.5): 232.13
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.16
ACD/KOC (pH 7.4): 231.96
Polar Surface Area: 100 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 195.6±5.0 cm3

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