ChemSpider 2D Image | 1-Isothiocyanato-1-methylcyclopropane | C5H7NS

1-Isothiocyanato-1-methylcyclopropane

  • Molecular FormulaC5H7NS
  • Average mass113.181 Da
  • Monoisotopic mass113.029922 Da
  • ChemSpider ID33285970

More details:






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

1-Isothiocyanato-1-methylcyclopropan [German] [ACD/IUPAC Name]
1-Isothiocyanato-1-methylcyclopropane [ACD/IUPAC Name]
1-Isothiocyanato-1-méthylcyclopropane [French] [ACD/IUPAC Name]
Cyclopropane, 1-isothiocyanato-1-methyl- [ACD/Index Name]
1028018-36-1 [RN]
MFCD02684164

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 161.6±7.0 °C at 760 mmHg
Vapour Pressure: 2.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.2±3.0 kJ/mol
Flash Point: 43.0±26.0 °C
Index of Refraction: 1.577
Molar Refractivity: 33.8±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.22
ACD/KOC (pH 5.5): 370.43
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.22
ACD/KOC (pH 7.4): 370.43
Polar Surface Area: 44 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 35.4±7.0 dyne/cm
Molar Volume: 101.9±7.0 cm3

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