ChemSpider 2D Image | 3-(Hydroxysulfanyl)-1-propanethiol | C3H8OS2

3-(Hydroxysulfanyl)-1-propanethiol

  • Molecular FormulaC3H8OS2
  • Average mass124.225 Da
  • Monoisotopic mass124.001656 Da
  • ChemSpider ID74068775

More details:

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

1-Propanesulfenic acid, 3-mercapto- [ACD/Index Name]
3-(Hydroxysulfanyl)-1-propanethiol [ACD/IUPAC Name]
3-(Hydroxysulfanyl)-1-propanethiol [French] [ACD/IUPAC Name]
3-(Hydroxysulfanyl)-1-propanthiol [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 260.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.8±6.0 kJ/mol
Flash Point: 111.3±27.9 °C
Index of Refraction: 1.558
Molar Refractivity: 33.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.04
ACD/KOC (pH 5.5): 77.10
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.03
ACD/KOC (pH 7.4): 76.98
Polar Surface Area: 84 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 103.6±3.0 cm3

Click to predict properties on the Chemicalize site


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