ChemSpider 2D Image | 1-Methyl(3-~2~H)-1,3-dihydro-2H-imidazole-2-thione | C4H5DN2S

1-Methyl(3-2H)-1,3-dihydro-2H-imidazole-2-thione

  • Molecular FormulaC4H5DN2S
  • Average mass115.175 Da
  • Monoisotopic mass115.031448 Da
  • ChemSpider ID95738779

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Methyl(3-2H)-1,3-dihydro-2H-imidazol-2-thion [German] [ACD/IUPAC Name]
1-Methyl(3-2H)-1,3-dihydro-2H-imidazole-2-thione [ACD/IUPAC Name]
1-Méthyl(3-2H)-1,3-dihydro-2H-imidazole-2-thione [French] [ACD/IUPAC Name]
2H-Imidazole-2-thione, 1,3-dihydro-1-d-3-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 154.8±23.0 °C at 760 mmHg
Vapour Pressure: 3.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.2±3.0 kJ/mol
Flash Point: 47.4±22.6 °C
Index of Refraction: 1.667
Molar Refractivity: 33.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.69
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.69
Polar Surface Area: 47 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 88.9±5.0 cm3

Click to predict properties on the Chemicalize site


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