ChemSpider 2D Image | (1R,2R)-1-Isothiocyanato-2-methylcyclopropane | C5H7NS

(1R,2R)-1-Isothiocyanato-2-methylcyclopropane

  • Molecular FormulaC5H7NS
  • Average mass113.181 Da
  • Monoisotopic mass113.029922 Da
  • ChemSpider ID76607171

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-1-Isothiocyanato-2-methylcyclopropan [German] [ACD/IUPAC Name]
(1R,2R)-1-Isothiocyanato-2-methylcyclopropane [ACD/IUPAC Name]
(1R,2R)-1-Isothiocyanato-2-méthylcyclopropane [French] [ACD/IUPAC Name]
Cyclopropane, 1-isothiocyanato-2-methyl-, (1R,2R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 169.5±7.0 °C at 760 mmHg
Vapour Pressure: 2.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.9±3.0 kJ/mol
Flash Point: 48.6±26.0 °C
Index of Refraction: 1.605
Molar Refractivity: 33.2±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.59
ACD/KOC (pH 5.5): 402.67
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.59
ACD/KOC (pH 7.4): 402.67
Polar Surface Area: 44 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 34.3±7.0 dyne/cm
Molar Volume: 96.5±7.0 cm3

Click to predict properties on the Chemicalize site


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