ChemSpider 2D Image | ({(1R,2S)-2-[(Benzyloxy)methyl]cyclopropyl}sulfonyl)benzene | C17H18O3S

({(1R,2S)-2-[(Benzyloxy)methyl]cyclopropyl}sulfonyl)benzene

  • Molecular FormulaC17H18O3S
  • Average mass302.388 Da
  • Monoisotopic mass302.097656 Da
  • ChemSpider ID30659234

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

({(1R,2S)-2-[(Benzyloxy)methyl]cyclopropyl}sulfonyl)benzene [ACD/IUPAC Name]
({(1R,2S)-2-[(Benzyloxy)méthyl]cyclopropyl}sulfonyl)benzène [French] [ACD/IUPAC Name]
({(1R,2S)-2-[(Benzyloxy)methyl]cyclopropyl}sulfonyl)benzol [German] [ACD/IUPAC Name]
Benzene, [[(1R,2S)-2-[(phenylmethoxy)methyl]cyclopropyl]sulfonyl]- [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: 471.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 238.9±23.7 °C
Index of Refraction: 1.593
Molar Refractivity: 83.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 53.06
ACD/KOC (pH 5.5): 597.28
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 53.06
ACD/KOC (pH 7.4): 597.28
Polar Surface Area: 52 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 245.1±3.0 cm3

Click to predict properties on the Chemicalize site


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