ChemSpider 2D Image | 3-(Methylsulfonyl)-1-propanethiol | C4H10O2S2

3-(Methylsulfonyl)-1-propanethiol

  • Molecular FormulaC4H10O2S2
  • Average mass154.251 Da
  • Monoisotopic mass154.012222 Da
  • ChemSpider ID61551308

More details:

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

1-Propanethiol, 3-(methylsulfonyl)- [ACD/Index Name]
232944-40-0 [RN]
3-(Methylsulfonyl)-1-propanethiol [ACD/IUPAC Name]
3-(Méthylsulfonyl)-1-propanethiol [French] [ACD/IUPAC Name]
3-(Methylsulfonyl)-1-propanthiol [German] [ACD/IUPAC Name]
3-methanesulfonylpropane-1-thiol
MFCD30090358

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

Density: 1.2±0.1 g/cm3
Boiling Point: 320.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 147.6±23.2 °C
Index of Refraction: 1.486
Molar Refractivity: 37.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.12
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.04
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.93
Polar Surface Area: 81 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 129.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement