ChemSpider 2D Image | 2-(Methylthio)-1,3-propanedithiol | C4H10S3

2-(Methylthio)-1,3-propanedithiol

  • Molecular FormulaC4H10S3
  • Average mass154.317 Da
  • Monoisotopic mass153.994461 Da
  • ChemSpider ID35800168

More details:






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

1,3-Propanedithiol, 2-(methylthio)- [ACD/Index Name]
2-(Methylsulfanyl)-1,3-propandithiol [German] [ACD/IUPAC Name]
2-(Methylsulfanyl)-1,3-propanedithiol [ACD/IUPAC Name]
2-(Méthylsulfanyl)-1,3-propanedithiol [French] [ACD/IUPAC Name]
2-(Methylthio)-1,3-propanedithiol
85365-94-2 [RN]
2-(Methylsulfanyl)propane-1,3-dithiol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 257.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.5±3.0 kJ/mol
Flash Point: 109.3±24.6 °C
Index of Refraction: 1.560
Molar Refractivity: 44.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.79
ACD/KOC (pH 5.5): 385.61
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.33
ACD/KOC (pH 7.4): 379.42
Polar Surface Area: 103 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 137.0±3.0 cm3

Click to predict properties on the Chemicalize site






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