ChemSpider 2D Image | 3-Isothiocyanatothietane 1,1-dioxide | C4H5NO2S2

3-Isothiocyanatothietane 1,1-dioxide

  • Molecular FormulaC4H5NO2S2
  • Average mass163.218 Da
  • Monoisotopic mass162.976166 Da
  • ChemSpider ID61270520

More details:

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

1,1-Dioxyde de 3-isothiocyanatothiétane [French] [ACD/IUPAC Name]
3-Isothiocyanatothietan-1,1-dioxid [German] [ACD/IUPAC Name]
3-Isothiocyanatothietane 1,1-dioxide [ACD/IUPAC Name]
Thietane, 3-isothiocyanato-, 1,1-dioxide [ACD/Index Name]
1856308-20-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 426.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 211.5±25.7 °C
Index of Refraction: 1.681
Molar Refractivity: 38.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.50
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.50
Polar Surface Area: 87 Å2
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 101.9±7.0 cm3

Click to predict properties on the Chemicalize site


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