ChemSpider 2D Image | (2S)-Phenyl(sulfanyl)acetic acid | C8H8O2S

(2S)-Phenyl(sulfanyl)acetic acid

  • Molecular FormulaC8H8O2S
  • Average mass168.213 Da
  • Monoisotopic mass168.024506 Da
  • ChemSpider ID58927543

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Phenyl(sulfanyl)acetic acid [ACD/IUPAC Name]
(2S)-Phenyl(sulfanyl)essigsäure [German] [ACD/IUPAC Name]
Acide (2S)-phényl(sulfanyl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-mercapto-, (αS)- [ACD/Index 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: 290.6±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 129.5±24.0 °C
Index of Refraction: 1.604
Molar Refractivity: 45.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 131.7±3.0 cm3

Click to predict properties on the Chemicalize site


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