ChemSpider 2D Image | MFCD20129150 | C10H10O2S2

MFCD20129150

  • Molecular FormulaC10H10O2S2
  • Average mass226.315 Da
  • Monoisotopic mass226.012222 Da
  • ChemSpider ID24691092

More details:

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

[(2-Phenylethanethioyl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(2-Phenylethanethioyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[(2-phenyl-1-thioxoethyl)thio]- [ACD/Index Name]
Acide [(2-phénylethanethioyl)sulfanyl]acétique [French] [ACD/IUPAC Name]
MFCD20129150
2-[(2-phenylethanethioyl)sulfanyl]acetic acid
52999-90-3 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458281/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 406.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 199.5±26.8 °C
Index of Refraction: 1.654
Molar Refractivity: 61.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 168.8±3.0 cm3

Click to predict properties on the Chemicalize site


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