ChemSpider 2D Image | (2S)-2-(2-Thienyl)succinic acid | C8H8O4S

(2S)-2-(2-Thienyl)succinic acid

  • Molecular FormulaC8H8O4S
  • Average mass200.212 Da
  • Monoisotopic mass200.014328 Da
  • ChemSpider ID96438108

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(2-Thienyl)bernsteinsäure [German] [ACD/IUPAC Name]
(2S)-2-(2-Thienyl)succinic acid [ACD/IUPAC Name]
Acide (2S)-2-(2-thiényl)succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-(2-thienyl)-, (2S)- [ACD/Index 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: 324.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 150.0±23.7 °C
Index of Refraction: 1.608
Molar Refractivity: 46.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 134.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement