ChemSpider 2D Image | [(2-{[2-(Methylsulfanyl)ethyl]amino}-2-oxoethyl)sulfanyl]acetic acid | C7H13NO3S2

[(2-{[2-(Methylsulfanyl)ethyl]amino}-2-oxoethyl)sulfanyl]acetic acid

  • Molecular FormulaC7H13NO3S2
  • Average mass223.313 Da
  • Monoisotopic mass223.033676 Da
  • ChemSpider ID51058351

More details:

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

[(2-{[2-(Methylsulfanyl)ethyl]amino}-2-oxoethyl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(2-{[2-(Methylsulfanyl)ethyl]amino}-2-oxoethyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[[2-(methylthio)ethyl]amino]-2-oxoethyl]thio]- [ACD/Index Name]
Acide [(2-{[2-(méthylsulfanyl)éthyl]amino}-2-oxoéthyl)sulfanyl]acétique [French] [ACD/IUPAC 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: 475.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.0±6.0 kJ/mol
Flash Point: 241.4±27.3 °C
Index of Refraction: 1.558
Molar Refractivity: 55.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 172.6±3.0 cm3

Click to predict properties on the Chemicalize site


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