ChemSpider 2D Image | 3-{[3-(Methylsulfonyl)propyl]sulfanyl}-1,2-propanediol | C7H16O4S2

3-{[3-(Methylsulfonyl)propyl]sulfanyl}-1,2-propanediol

  • Molecular FormulaC7H16O4S2
  • Average mass228.329 Da
  • Monoisotopic mass228.048996 Da
  • ChemSpider ID36273893

More details:

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

1,2-Propanediol, 3-[[3-(methylsulfonyl)propyl]thio]- [ACD/Index Name]
3-{[3-(Methylsulfonyl)propyl]sulfanyl}-1,2-propandiol [German] [ACD/IUPAC Name]
3-{[3-(Methylsulfonyl)propyl]sulfanyl}-1,2-propanediol [ACD/IUPAC Name]
3-{[3-(Méthylsulfonyl)propyl]sulfanyl}-1,2-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 496.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 254.3±25.9 °C
Index of Refraction: 1.535
Molar Refractivity: 54.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.56
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.56
Polar Surface Area: 108 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 174.5±3.0 cm3

Click to predict properties on the Chemicalize site


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