ChemSpider 2D Image | 2-Methyl-1,3-oxathiolane-2-ethanethiol | C6H12OS2

2-Methyl-1,3-oxathiolane-2-ethanethiol

  • Molecular FormulaC6H12OS2
  • Average mass164.289 Da
  • Monoisotopic mass164.032959 Da
  • ChemSpider ID26944120

More details:






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

1,3-Oxathiolane-2-ethanethiol, 2-methyl- [ACD/Index Name]
2-(2-Methyl-1,3-oxathiolan-2-yl)ethanethiol [ACD/IUPAC Name]
2-(2-Méthyl-1,3-oxathiolan-2-yl)éthanethiol [French] [ACD/IUPAC Name]
2-(2-Methyl-1,3-oxathiolan-2-yl)ethanthiol [German] [ACD/IUPAC Name]
2-Methyl-1,3-oxathiolane-2-ethanethiol
95792-16-8 [RN]
(5-methyl-1H-imidazol-4-yl)methanol [ACD/IUPAC Name]
2-(2-Methyl-1,3-oxathiolan-2-yl)ethane-1-thiol
5684-34-4 [RN]
Beef ketone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 256.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.4±3.0 kJ/mol
Flash Point: 109.1±23.2 °C
Index of Refraction: 1.521
Molar Refractivity: 45.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.91
ACD/KOC (pH 5.5): 240.81
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.87
ACD/KOC (pH 7.4): 240.17
Polar Surface Area: 73 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 149.3±3.0 cm3

Click to predict properties on the Chemicalize site






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