Found 3 results

Search term: HWLDYKJDDGJZSN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 3-(2-thienylsulfanyl)butanoate | C9H12O2S2

Methyl 3-(2-thienylsulfanyl)butanoate

  • Molecular FormulaC9H12O2S2
  • Average mass216.320 Da
  • Monoisotopic mass216.027863 Da
  • ChemSpider ID41485444

More details:

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

3-(2-Thiénylsulfanyl)butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-(2-thienylthio)-, methyl ester [ACD/Index Name]
Methyl 3-(2-thienylsulfanyl)butanoate [ACD/IUPAC Name]
Methyl-3-(2-thienylsulfanyl)butanoat [German] [ACD/IUPAC Name]
MFCD23703096

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

Density: 1.2±0.1 g/cm3
Boiling Point: 307.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 139.8±22.3 °C
Index of Refraction: 1.555
Molar Refractivity: 57.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.81
ACD/KOC (pH 5.5): 905.00
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.81
ACD/KOC (pH 7.4): 905.00
Polar Surface Area: 80 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 180.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement