ChemSpider 2D Image | 5-(Methylsulfanyl)-2-furoic acid | C6H6O3S

5-(Methylsulfanyl)-2-furoic acid

  • Molecular FormulaC6H6O3S
  • Average mass158.175 Da
  • Monoisotopic mass158.003769 Da
  • ChemSpider ID14917258

More details:

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

2-Furancarboxylic acid, 5-(methylthio)- [ACD/Index Name]
5-(Methylsulfanyl)-2-furoesäure [German] [ACD/IUPAC Name]
5-(Methylsulfanyl)-2-furoic acid [ACD/IUPAC Name]
Acide 5-(méthylsulfanyl)-2-furoïque [French] [ACD/IUPAC Name]
21984-78-1 [RN]
5-(methylsulfanyl)furan-2-carboxylic acid
MFCD16692249 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 304.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 138.0±23.7 °C
Index of Refraction: 1.588
Molar Refractivity: 38.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 113.4±5.0 cm3

Click to predict properties on the Chemicalize site


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