ChemSpider 2D Image | 4-[2-(Methylsulfonyl)ethyl]tetrahydro-3-thiopheneol | C7H14O3S2

4-[2-(Methylsulfonyl)ethyl]tetrahydro-3-thiopheneol

  • Molecular FormulaC7H14O3S2
  • Average mass210.314 Da
  • Monoisotopic mass210.038437 Da
  • ChemSpider ID45896379

More details:

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

3-Thiopheneol, tetrahydro-4-[2-(methylsulfonyl)ethyl]- [ACD/Index Name]
4-[2-(Methylsulfonyl)ethyl]tetrahydro-3-thiopheneol [ACD/IUPAC Name]
4-[2-(Méthylsulfonyl)éthyl]tétrahydro-3-thiophèneol [French] [ACD/IUPAC Name]
4-[2-(Methylsulfonyl)ethyl]tetrahydro-3-thiophenol [German] [ACD/IUPAC Name]
1558238-51-9 [RN]
MFCD26015182

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

Density: 1.3±0.1 g/cm3
Boiling Point: 437.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±6.0 kJ/mol
Flash Point: 218.1±24.6 °C
Index of Refraction: 1.546
Molar Refractivity: 50.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.34
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.34
Polar Surface Area: 88 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 160.3±3.0 cm3

Click to predict properties on the Chemicalize site


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