ChemSpider 2D Image | 5-{2-[(Methylsulfonyl)methyl]-1,3-thiazol-4-yl}-3-furoic acid | C10H9NO5S2

5-{2-[(Methylsulfonyl)methyl]-1,3-thiazol-4-yl}-3-furoic acid

  • Molecular FormulaC10H9NO5S2
  • Average mass287.312 Da
  • Monoisotopic mass286.992218 Da
  • ChemSpider ID43320048

More details:

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

3-Furancarboxylic acid, 5-[2-[(methylsulfonyl)methyl]-4-thiazolyl]- [ACD/Index Name]
5-{2-[(Methylsulfonyl)methyl]-1,3-thiazol-4-yl}-3-furoesäure [German] [ACD/IUPAC Name]
5-{2-[(Methylsulfonyl)methyl]-1,3-thiazol-4-yl}-3-furoic acid [ACD/IUPAC Name]
Acide 5-{2-[(méthylsulfonyl)méthyl]-1,3-thiazol-4-yl}-3-furoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 590.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 310.8±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 64.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 186.6±3.0 cm3

Click to predict properties on the Chemicalize site


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