ChemSpider 2D Image | 1-Hydroxy-3-sulfanylacetone | C3H6O2S

1-Hydroxy-3-sulfanylacetone

  • Molecular FormulaC3H6O2S
  • Average mass106.144 Da
  • Monoisotopic mass106.008850 Da
  • ChemSpider ID28576023

More details:

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

1-Hydroxy-3-sulfanylaceton [German] [ACD/IUPAC Name]
1-Hydroxy-3-sulfanylacetone [ACD/IUPAC Name]
1-Hydroxy-3-sulfanylacétone [French] [ACD/IUPAC Name]
2-Propanone, 1-hydroxy-3-mercapto- [ACD/Index Name]
1-Hydroxy-3-sulfanylpropan-2-one
856604-62-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 216.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.6±6.0 kJ/mol
Flash Point: 84.6±21.8 °C
Index of Refraction: 1.498
Molar Refractivity: 25.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.28
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.73
Polar Surface Area: 76 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 86.7±3.0 cm3

Click to predict properties on the Chemicalize site


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