ChemSpider 2D Image | 1-Propanesulfonyl isothiocyanate | C4H7NO2S2

1-Propanesulfonyl isothiocyanate

  • Molecular FormulaC4H7NO2S2
  • Average mass165.234 Da
  • Monoisotopic mass164.991821 Da
  • ChemSpider ID37700797

More details:

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

1-Propanesulfonyl isothiocyanate [ACD/Index Name] [ACD/IUPAC Name]
1-Propansulfonylisothiocyanat [German] [ACD/IUPAC Name]
Isothiocyanate de 1-propanesulfonyle [French] [ACD/IUPAC Name]
1510488-21-7 [RN]
MFCD26599201

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

Density: 1.3±0.1 g/cm3
Boiling Point: 238.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 98.0±22.6 °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: 1.89
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.24
ACD/KOC (pH 5.5): 170.93
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.24
ACD/KOC (pH 7.4): 170.93
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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