ChemSpider 2D Image | 4-[3-(Ethylsulfanyl)-1-propyn-1-yl]-5-(methylsulfanyl)-2-thiophenecarboxylic acid | C11H12O2S3

4-[3-(Ethylsulfanyl)-1-propyn-1-yl]-5-(methylsulfanyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC11H12O2S3
  • Average mass272.407 Da
  • Monoisotopic mass271.999939 Da
  • ChemSpider ID85991995

More details:

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

2-Thiophenecarboxylic acid, 4-[3-(ethylthio)-1-propyn-1-yl]-5-(methylthio)- [ACD/Index Name]
4-[3-(Ethylsulfanyl)-1-propin-1-yl]-5-(methylsulfanyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-[3-(Ethylsulfanyl)-1-propyn-1-yl]-5-(methylsulfanyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-[3-(éthylsulfanyl)-1-propyn-1-yl]-5-(méthylsulfanyl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 445.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 223.2±28.7 °C
Index of Refraction: 1.650
Molar Refractivity: 73.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 14.84
ACD/KOC (pH 5.5): 71.83
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.42
Polar Surface Area: 116 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 200.2±5.0 cm3

Click to predict properties on the Chemicalize site


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