ChemSpider 2D Image | 2-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)ethanethioamide | C5H7N3S2

2-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)ethanethioamide

  • Molecular FormulaC5H7N3S2
  • Average mass173.259 Da
  • Monoisotopic mass173.008133 Da
  • ChemSpider ID29783556

More details:

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

1H-Imidazole-4-ethanethioamide, 2,3-dihydro-2-thioxo- [ACD/Index Name]
2-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)ethanethioamide [ACD/IUPAC Name]
2-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)éthanethioamide [French] [ACD/IUPAC Name]
2-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)ethanthioamid [German] [ACD/IUPAC Name]
872266-72-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 316.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 144.9±30.7 °C
Index of Refraction: 1.765
Molar Refractivity: 48.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.62
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.61
Polar Surface Area: 114 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 97.0±5.0 dyne/cm
Molar Volume: 116.0±5.0 cm3

Click to predict properties on the Chemicalize site


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