ChemSpider 2D Image | 3-(Methylsulfanyl)-5-sulfanyl-1-benzothiophene-4-carbaldehyde | C10H8OS3

3-(Methylsulfanyl)-5-sulfanyl-1-benzothiophene-4-carbaldehyde

  • Molecular FormulaC10H8OS3
  • Average mass240.365 Da
  • Monoisotopic mass239.973724 Da
  • ChemSpider ID61067606

More details:

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

3-(Methylsulfanyl)-5-sulfanyl-1-benzothiophen-4-carbaldehyd [German] [ACD/IUPAC Name]
3-(Methylsulfanyl)-5-sulfanyl-1-benzothiophene-4-carbaldehyde [ACD/IUPAC Name]
3-(Méthylsulfanyl)-5-sulfanyl-1-benzothiophène-4-carbaldéhyde [French] [ACD/IUPAC Name]
Benzo[b]thiophene-4-carboxaldehyde, 5-mercapto-3-(methylthio)- [ACD/Index Name]
1934747-81-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 432.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 215.4±28.7 °C
Index of Refraction: 1.721
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 166.45
ACD/KOC (pH 5.5): 1074.89
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 3.99
ACD/KOC (pH 7.4): 25.75
Polar Surface Area: 109 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 171.8±5.0 cm3

Click to predict properties on the Chemicalize site


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