ChemSpider 2D Image | 4-{[2-(Ethylsulfanyl)ethyl]sulfanyl}-2-thiophenecarboxylic acid | C9H12O2S3

4-{[2-(Ethylsulfanyl)ethyl]sulfanyl}-2-thiophenecarboxylic acid

  • Molecular FormulaC9H12O2S3
  • Average mass248.385 Da
  • Monoisotopic mass247.999939 Da
  • ChemSpider ID42484872

More details:

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

2-Thiophenecarboxylic acid, 4-[[2-(ethylthio)ethyl]thio]- [ACD/Index Name]
4-{[2-(Ethylsulfanyl)ethyl]sulfanyl}-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-{[2-(Ethylsulfanyl)ethyl]sulfanyl}-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-{[2-(éthylsulfanyl)éthyl]sulfanyl}-2-thiophènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 420.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 208.0±27.3 °C
Index of Refraction: 1.630
Molar Refractivity: 65.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 2.99
ACD/KOC (pH 5.5): 22.11
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.49
Polar Surface Area: 116 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 184.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement