ChemSpider 2D Image | [(2-Sulfanylethyl)sulfonyl]acetic acid | C4H8O4S2

[(2-Sulfanylethyl)sulfonyl]acetic acid

  • Molecular FormulaC4H8O4S2
  • Average mass184.234 Da
  • Monoisotopic mass183.986404 Da
  • ChemSpider ID61548555

More details:

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

[(2-Sulfanylethyl)sulfonyl]acetic acid [ACD/IUPAC Name]
[(2-Sulfanylethyl)sulfonyl]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[(2-mercaptoethyl)sulfonyl]- [ACD/Index Name]
Acide [(2-sulfanyléthyl)sulfonyl]acétique [French] [ACD/IUPAC Name]
1870149-65-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 463.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.4±6.0 kJ/mol
Flash Point: 233.9±24.6 °C
Index of Refraction: 1.538
Molar Refractivity: 38.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -3.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 124.3±3.0 cm3

Click to predict properties on the Chemicalize site


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