ChemSpider 2D Image | (2S)-3-(Sulfanyloxy)-1,2-propanediol | C3H8O3S

(2S)-3-(Sulfanyloxy)-1,2-propanediol

  • Molecular FormulaC3H8O3S
  • Average mass124.159 Da
  • Monoisotopic mass124.019417 Da
  • ChemSpider ID35802246

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(Sulfanyloxy)-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-(Sulfanyloxy)-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-(Sulfanyloxy)-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-(mercaptooxy)-, (2S)- [ACD/Index Name]
(S)-1-MERCAPTOGLYCEROL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 276.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.8±6.0 kJ/mol
Flash Point: 121.1±30.1 °C
Index of Refraction: 1.522
Molar Refractivity: 28.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.19
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.18
Polar Surface Area: 88 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 93.9±3.0 cm3

Click to predict properties on the Chemicalize site


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