ChemSpider 2D Image | (2S)-2-(Ethylsulfanyl)succinic acid | C6H10O4S

(2S)-2-(Ethylsulfanyl)succinic acid

  • Molecular FormulaC6H10O4S
  • Average mass178.206 Da
  • Monoisotopic mass178.029984 Da
  • ChemSpider ID24591183

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Ethylsulfanyl)bernsteinsäure [German] [ACD/IUPAC Name]
(2S)-2-(Ethylsulfanyl)succinic acid [ACD/IUPAC Name]
Acide (2S)-2-(éthylsulfanyl)succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-(ethylthio)-, (2S)- [ACD/Index Name]
(S)-(Ethylthio)butanedioic acid
L-(-)-(Ethylthio)succinic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 287.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 57.9±6.0 kJ/mol
Flash Point: 127.5±24.6 °C
Index of Refraction: 1.536
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 131.2±3.0 cm3

Click to predict properties on the Chemicalize site


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