ChemSpider 2D Image | 2-Methyl-2-propanyl 2-[4-(methylsulfanyl)benzyl]-3-(2-thienyl)propanoate | C19H24O2S2

2-Methyl-2-propanyl 2-[4-(methylsulfanyl)benzyl]-3-(2-thienyl)propanoate

  • Molecular FormulaC19H24O2S2
  • Average mass348.523 Da
  • Monoisotopic mass348.121765 Da
  • ChemSpider ID26592767

More details:






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

2-[4-(Méthylsulfanyl)benzyl]-3-(2-thiényl)propanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-[4-(methylsulfanyl)benzyl]-3-(2-thienyl)propanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-[4-(methylsulfanyl)benzyl]-3-(2-thienyl)propanoat [German] [ACD/IUPAC Name]
2-Thiophenepropanoic acid, α-[[4-(methylthio)phenyl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 448.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.3±27.3 °C
Index of Refraction: 1.577
Molar Refractivity: 101.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11266.74
ACD/KOC (pH 5.5): 27660.88
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11266.74
ACD/KOC (pH 7.4): 27660.88
Polar Surface Area: 80 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 305.2±5.0 cm3

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