ChemSpider 2D Image | (1S)-1-[(2R)-2-Ethyl-1,1-dioxido-1,3-dithiolan-2-yl]ethanol | C7H14O3S2

(1S)-1-[(2R)-2-Ethyl-1,1-dioxido-1,3-dithiolan-2-yl]ethanol

  • Molecular FormulaC7H14O3S2
  • Average mass210.314 Da
  • Monoisotopic mass210.038437 Da
  • ChemSpider ID29779310

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S)-1-[(2R)-2-Ethyl-1,1-dioxido-1,3-dithiolan-2-yl]ethanol [German] [ACD/IUPAC Name]
(1S)-1-[(2R)-2-Ethyl-1,1-dioxido-1,3-dithiolan-2-yl]ethanol [ACD/IUPAC Name]
(1S)-1-[(2R)-2-Éthyl-1,1-dioxydo-1,3-dithiolan-2-yl]éthanol [French] [ACD/IUPAC Name]
1,3-Dithiolane-2-methanol, 2-ethyl-α-methyl-, 1,1-dioxide, (αS,2R)- [ACD/Index Name]
(R)-2-ethyl-2-((S)-1-hydroxyethyl)-1,3-dithiolane 1,1-dioxide
519059-64-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 414.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±6.0 kJ/mol
Flash Point: 204.3±24.6 °C
Index of Refraction: 1.532
Molar Refractivity: 50.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.84
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.84
Polar Surface Area: 88 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 163.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement