ChemSpider 2D Image | 1,1'-{[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis(methylene)}bis(3-methyl-1,3-dihydro-2H-imidazole-2-thione) | C15H22N4O2S2

1,1'-{[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis(methylene)}bis(3-methyl-1,3-dihydro-2H-imidazole-2-thione)

  • Molecular FormulaC15H22N4O2S2
  • Average mass354.491 Da
  • Monoisotopic mass354.118408 Da
  • ChemSpider ID24739031

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,1'-{[(4S,5S)-2,2-Dimethyl-1,3-dioxolan-4,5-diyl]dimethylen}bis(3-methyl-1,3-dihydro-2H-imidazol-2-thion) [German] [ACD/IUPAC Name]
1,1'-{[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis(methylene)}bis(3-methyl-1,3-dihydro-2H-imidazole-2-thione) [ACD/IUPAC Name]
1,1'-{[(4S,5S)-2,2-Diméthyl-1,3-dioxolane-4,5-diyl]diméthylène}bis(3-méthyl-1,3-dihydro-2H-imidazole-2-thione) [French] [ACD/IUPAC Name]
2H-Imidazole-2-thione, 1,1'-[[(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis(methylene)]bis[1,3-dihydro-3-methyl- [ACD/Index 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: 447.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 224.3±31.5 °C
Index of Refraction: 1.694
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.97
ACD/KOC (pH 5.5): 75.78
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.97
ACD/KOC (pH 7.4): 75.78
Polar Surface Area: 96 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 256.3±5.0 cm3

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