ChemSpider 2D Image | 3-{[1-(2-Thienyl)ethyl]sulfanyl}-1,2-propanediol | C9H14O2S2

3-{[1-(2-Thienyl)ethyl]sulfanyl}-1,2-propanediol

  • Molecular FormulaC9H14O2S2
  • Average mass218.336 Da
  • Monoisotopic mass218.043518 Da
  • ChemSpider ID30282281

More details:

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

1,2-Propanediol, 3-[[1-(2-thienyl)ethyl]thio]- [ACD/Index Name]
3-{[1-(2-Thienyl)ethyl]sulfanyl}-1,2-propandiol [German] [ACD/IUPAC Name]
3-{[1-(2-Thienyl)ethyl]sulfanyl}-1,2-propanediol [ACD/IUPAC Name]
3-{[1-(2-Thiényl)éthyl]sulfanyl}-1,2-propanediol [French] [ACD/IUPAC Name]
1384596-09-1 [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: 384.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 186.1±25.1 °C
Index of Refraction: 1.606
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.47
ACD/KOC (pH 5.5): 199.59
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.47
ACD/KOC (pH 7.4): 199.59
Polar Surface Area: 94 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 171.4±3.0 cm3

Click to predict properties on the Chemicalize site


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