ChemSpider 2D Image | 1-(1,3-Oxathiolan-2-yl)-2-propanethiol | C6H12OS2

1-(1,3-Oxathiolan-2-yl)-2-propanethiol

  • Molecular FormulaC6H12OS2
  • Average mass164.289 Da
  • Monoisotopic mass164.032959 Da
  • ChemSpider ID15005762

More details:






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

1-(1,3-Oxathiolan-2-yl)-2-propanethiol [ACD/IUPAC Name]
1-(1,3-Oxathiolan-2-yl)-2-propanethiol [French] [ACD/IUPAC Name]
1-(1,3-Oxathiolan-2-yl)-2-propanthiol [German] [ACD/IUPAC Name]
1,3-Oxathiolane-2-ethanethiol, α-methyl- [ACD/Index Name]
2-Methyl-2-mercaptoethyl-oxathiolane
95792-16-8 [RN]
MFCD22422561

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 265.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.3±3.0 kJ/mol
Flash Point: 114.4±23.2 °C
Index of Refraction: 1.527
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: 1.12
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.48
ACD/KOC (pH 5.5): 199.62
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.47
ACD/KOC (pH 7.4): 199.43
Polar Surface Area: 73 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 147.7±3.0 cm3

Click to predict properties on the Chemicalize site






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