ChemSpider 2D Image | (2R)-2-Propylthietane | C6H12S

(2R)-2-Propylthietane

  • Molecular FormulaC6H12S
  • Average mass116.225 Da
  • Monoisotopic mass116.065971 Da
  • ChemSpider ID74102696

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Propylthietan [German] [ACD/IUPAC Name]
(2R)-2-Propylthietane [ACD/IUPAC Name]
(2R)-2-Propylthiétane [French] [ACD/IUPAC Name]
Thietane, 2-propyl-, (2R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 152.1±8.0 °C at 760 mmHg
Vapour Pressure: 4.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.3±3.0 kJ/mol
Flash Point: 38.7±15.1 °C
Index of Refraction: 1.489
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.47
ACD/KOC (pH 5.5): 616.65
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.47
ACD/KOC (pH 7.4): 616.65
Polar Surface Area: 25 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 124.5±3.0 cm3

Click to predict properties on the Chemicalize site


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