ChemSpider 2D Image | 1,4-Oxathiocin | C6H6OS

1,4-Oxathiocin

  • Molecular FormulaC6H6OS
  • Average mass126.176 Da
  • Monoisotopic mass126.013931 Da
  • ChemSpider ID29316705

  • Double-bond stereo - Double-bond stereo

More details:

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

1,4-Oxathiocin [German] [ACD/Index Name] [ACD/IUPAC Name]
1,4-Oxathiocin [ACD/Index Name] [ACD/IUPAC Name]
1,4-Oxathiocine [ACD/IUPAC Name]
1,4-Oxathiocine [French] [ACD/IUPAC Name]
19540-32-0 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 249.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.7±3.0 kJ/mol
Flash Point: 104.6±19.8 °C
Index of Refraction: 1.434
Molar Refractivity: 31.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 41 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 29.4±3.0 dyne/cm
Molar Volume: 121.3±3.0 cm3

Click to predict properties on the Chemicalize site


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