ChemSpider 2D Image | 3-Furylmethyl 5-(methylsulfanyl)-2-furoate | C11H10O4S

3-Furylmethyl 5-(methylsulfanyl)-2-furoate

  • Molecular FormulaC11H10O4S
  • Average mass238.260 Da
  • Monoisotopic mass238.029984 Da
  • ChemSpider ID30179138

More details:

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

2-Furancarboxylic acid, 5-(methylthio)-, 3-furanylmethyl ester [ACD/Index Name]
3-Furylmethyl 5-(methylsulfanyl)-2-furoate [ACD/IUPAC Name]
3-Furylmethyl-5-(methylsulfanyl)-2-furoat [German] [ACD/IUPAC Name]
5-(Méthylsulfanyl)-2-furoate de 3-furylméthyle [French] [ACD/IUPAC Name]
(FURAN-3-YL)METHYL 5-(METHYLSULFANYL)FURAN-2-CARBOXYLATE
FURAN-3-YLMETHYL 5-(METHYLSULFANYL)FURAN-2-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 365.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 175.0±26.5 °C
Index of Refraction: 1.579
Molar Refractivity: 60.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.44
ACD/KOC (pH 5.5): 949.84
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.44
ACD/KOC (pH 7.4): 949.84
Polar Surface Area: 78 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 181.1±5.0 cm3

Click to predict properties on the Chemicalize site


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