ChemSpider 2D Image | 4-Methyl-2-(2-sulfanylpropyl)-1,3-oxathian-6-ol | C8H16O2S2

4-Methyl-2-(2-sulfanylpropyl)-1,3-oxathian-6-ol

  • Molecular FormulaC8H16O2S2
  • Average mass208.341 Da
  • Monoisotopic mass208.059174 Da
  • ChemSpider ID24748718

More details:

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

1,3-Oxathian-6-ol, 2-(2-mercaptopropyl)-4-methyl- [ACD/Index Name]
4-Methyl-2-(2-sulfanylpropyl)-1,3-oxathian-6-ol [ACD/IUPAC Name]
4-Methyl-2-(2-sulfanylpropyl)-1,3-oxathian-6-ol [German] [ACD/IUPAC Name]
4-Méthyl-2-(2-sulfanylpropyl)-1,3-oxathian-6-ol [French] [ACD/IUPAC Name]
2-(2-mercaptopropyl)-4-methyl-1,3-oxathian-6-ol
60051-33-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 345.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.2±6.0 kJ/mol
Flash Point: 162.6±27.9 °C
Index of Refraction: 1.530
Molar Refractivity: 56.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.67
ACD/KOC (pH 5.5): 149.58
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.66
ACD/KOC (pH 7.4): 149.44
Polar Surface Area: 94 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 182.5±3.0 cm3

Click to predict properties on the Chemicalize site


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