ChemSpider 2D Image | Methyl 5-({4-[(2-methoxy-2-oxoethyl)sulfanyl]phenoxy}methyl)-3-methyl-2-furoate | C17H18O6S

Methyl 5-({4-[(2-methoxy-2-oxoethyl)sulfanyl]phenoxy}methyl)-3-methyl-2-furoate

  • Molecular FormulaC17H18O6S
  • Average mass350.386 Da
  • Monoisotopic mass350.082397 Da
  • ChemSpider ID29815555

More details:

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

2-Furancarboxylic acid, 5-[[4-[(2-methoxy-2-oxoethyl)thio]phenoxy]methyl]-3-methyl-, methyl ester [ACD/Index Name]
5-({4-[(2-Méthoxy-2-oxoéthyl)sulfanyl]phénoxy}méthyl)-3-méthyl-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-({4-[(2-methoxy-2-oxoethyl)sulfanyl]phenoxy}methyl)-3-methyl-2-furoate [ACD/IUPAC Name]
Methyl-5-({4-[(2-methoxy-2-oxoethyl)sulfanyl]phenoxy}methyl)-3-methyl-2-furoat [German] [ACD/IUPAC Name]
METHYL 5-({4-[(2-METHOXY-2-OXOETHYL)SULFANYL]PHENOXY}METHYL)-3-METHYLFURAN-2-CARBOXYLATE
METHYL 5-{4-[(2-METHOXY-2-OXOETHYL)SULFANYL]PHENOXYMETHYL}-3-METHYLFURAN-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: 485.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.2±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 89.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 237.68
ACD/KOC (pH 5.5): 1747.22
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 237.68
ACD/KOC (pH 7.4): 1747.22
Polar Surface Area: 100 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 272.1±5.0 cm3

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