ChemSpider 2D Image | N-{2-[(2-Thienylcarbonyl)sulfanyl](3,3,3-~2~H_3_)propanoyl}(2,2-~2~H_2_)glycine | C10H6D5NO4S2

N-{2-[(2-Thienylcarbonyl)sulfanyl](3,3,3-2H3)propanoyl}(2,2-2H2)glycine

  • Molecular FormulaC10H6D5NO4S2
  • Average mass278.359 Da
  • Monoisotopic mass278.044342 Da
  • ChemSpider ID107440860

  • Non-standard isotope - Non-standard isotope

More details:

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

Glycine-2,2-d2, N-[1-oxo-2-[(2-thienylcarbonyl)thio]propyl-3,3,3-d3]- [ACD/Index Name]
N-{2-[(2-Thienylcarbonyl)sulfanyl](3,3,3-2H3)propanoyl}(2,2-2H2)glycin [German] [ACD/IUPAC Name]
N-{2-[(2-Thienylcarbonyl)sulfanyl](3,3,3-2H3)propanoyl}(2,2-2H2)glycine [ACD/IUPAC Name]
N-{2-[(2-Thiénylcarbonyl)sulfanyl](3,3,3-2H3)propanoyl}(2,2-2H2)glycine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 521.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 269.0±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 66.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 191.4±3.0 cm3

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