ChemSpider 2D Image | (2S)-2-Hydroxy-3-sulfanylpropanal | C3H6O2S

(2S)-2-Hydroxy-3-sulfanylpropanal

  • Molecular FormulaC3H6O2S
  • Average mass106.144 Da
  • Monoisotopic mass106.008850 Da
  • ChemSpider ID57533286
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-Hydroxy-3-sulfanylpropanal [German] [ACD/IUPAC Name]
(2S)-2-Hydroxy-3-sulfanylpropanal [ACD/IUPAC Name]
(2S)-2-Hydroxy-3-sulfanylpropanal [French] [ACD/IUPAC Name]
Propanal, 2-hydroxy-3-mercapto-, (2S)- [ACD/Index Name]
183623-71-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 235.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 54.8±6.0 kJ/mol
Flash Point: 96.0±25.9 °C
Index of Refraction: 1.496
Molar Refractivity: 25.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.24
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.96
Polar Surface Area: 76 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 87.3±3.0 cm3

Click to predict properties on the Chemicalize site






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