ChemSpider 2D Image | 1-Isothiocyanato-2-(methylsulfonyl)ethane | C4H7NO2S2

1-Isothiocyanato-2-(methylsulfonyl)ethane

  • Molecular FormulaC4H7NO2S2
  • Average mass165.234 Da
  • Monoisotopic mass164.991821 Da
  • ChemSpider ID25993279

More details:

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

1-Isothiocyanato-2-(methylsulfonyl)ethan [German] [ACD/IUPAC Name]
1-Isothiocyanato-2-(methylsulfonyl)ethane [ACD/IUPAC Name]
1-Isothiocyanato-2-(méthylsulfonyl)éthane [French] [ACD/IUPAC Name]
Ethane, 1-isothiocyanato-2-(methylsulfonyl)- [ACD/Index Name]
1086228-14-9 [RN]
1-isothiocyanato-2-methanesulfonylethane
2-isothiocyanatoethyl methyl sulfone
MFCD12806742 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 368.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 176.4±23.2 °C
Index of Refraction: 1.545
Molar Refractivity: 40.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 61.80
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 61.80
Polar Surface Area: 87 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 129.5±7.0 cm3

Click to predict properties on the Chemicalize site


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