ChemSpider 2D Image | 4-Iodo-1-[(methylsulfanyl)methyl]pyrazolidine | C5H11IN2S

4-Iodo-1-[(methylsulfanyl)methyl]pyrazolidine

  • Molecular FormulaC5H11IN2S
  • Average mass258.124 Da
  • Monoisotopic mass257.968750 Da
  • ChemSpider ID109330736

More details:

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

4-Iod-1-[(methylsulfanyl)methyl]pyrazolidin [German] [ACD/IUPAC Name]
4-Iodo-1-[(methylsulfanyl)methyl]pyrazolidine [ACD/IUPAC Name]
4-Iodo-1-[(méthylsulfanyl)méthyl]pyrazolidine [French] [ACD/IUPAC Name]
Pyrazolidine, 4-iodo-1-[(methylthio)methyl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 278.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.8±3.0 kJ/mol
Flash Point: 122.5±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 51.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 27.04
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.27
ACD/KOC (pH 7.4): 80.74
Polar Surface Area: 41 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 141.9±5.0 cm3

Click to predict properties on the Chemicalize site


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