ChemSpider 2D Image | 3-{[(3S,4R)-4-Methoxy-1,1-dioxidotetrahydro-3-thiophenyl]sulfanyl}phenol | C11H14O4S2

3-{[(3S,4R)-4-Methoxy-1,1-dioxidotetrahydro-3-thiophenyl]sulfanyl}phenol

  • Molecular FormulaC11H14O4S2
  • Average mass274.357 Da
  • Monoisotopic mass274.033356 Da
  • ChemSpider ID65070551

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-{[(3S,4R)-4-Methoxy-1,1-dioxidotetrahydro-3-thiophenyl]sulfanyl}phenol [German] [ACD/IUPAC Name]
3-{[(3S,4R)-4-Methoxy-1,1-dioxidotetrahydro-3-thiophenyl]sulfanyl}phenol [ACD/IUPAC Name]
3-{[(3S,4R)-4-Méthoxy-1,1-dioxydotétrahydro-3-thiophényl]sulfanyl}phénol [French] [ACD/IUPAC Name]
Phenol, 3-[[(3S,4R)-tetrahydro-4-methoxy-1,1-dioxido-3-thienyl]thio]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 519.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 268.0±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.24
ACD/KOC (pH 5.5): 97.88
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.19
ACD/KOC (pH 7.4): 96.80
Polar Surface Area: 97 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 191.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement