ChemSpider 2D Image | 2-{[(Benzylsulfanyl)carbonothioyl]sulfanyl}propanoic acid | C11H12O2S3

2-{[(Benzylsulfanyl)carbonothioyl]sulfanyl}propanoic acid

  • Molecular FormulaC11H12O2S3
  • Average mass272.407 Da
  • Monoisotopic mass271.999939 Da
  • ChemSpider ID67159199

More details:

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

2-{[(Benzylsulfanyl)carbonothioyl]sulfanyl}propanoic acid [ACD/IUPAC Name]
2-{[(Benzylsulfanyl)carbonothioyl]sulfanyl}propansäure [German] [ACD/IUPAC Name]
Acide 2-{[(benzylsulfanyl)carbonothioyl]sulfanyl}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[[(phenylmethyl)thio]thioxomethyl]thio]- [ACD/Index Name]
2-(benzylsulfanylthiocarbonylsulfanyl) propanoic 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: 480.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 244.4±25.7 °C
Index of Refraction: 1.669
Molar Refractivity: 74.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.89
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 199.7±3.0 cm3

Click to predict properties on the Chemicalize site


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