ChemSpider 2D Image | Oxo(2-sulfanylphenyl)acetic acid | C8H6O3S

Oxo(2-sulfanylphenyl)acetic acid

  • Molecular FormulaC8H6O3S
  • Average mass182.196 Da
  • Monoisotopic mass182.003769 Da
  • ChemSpider ID35033813

More details:

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

Acide oxo(2-sulfanylphényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-mercapto-α-oxo- [ACD/Index Name]
Oxo(2-sulfanylphenyl)acetic acid [ACD/IUPAC Name]
Oxo(2-sulfanylphenyl)essigsäure [German] [ACD/IUPAC Name]
159044-35-6 [RN]
23J
MFCD20651988

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

Density: 1.4±0.1 g/cm3
Boiling Point: 332.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 154.9±25.7 °C
Index of Refraction: 1.637
Molar Refractivity: 46.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 128.2±3.0 cm3

Click to predict properties on the Chemicalize site


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