ChemSpider 2D Image | Methyl N-(benzoylcarbamothioyl)-beta-alaninate | C12H14N2O3S

Methyl N-(benzoylcarbamothioyl)-β-alaninate

  • Molecular FormulaC12H14N2O3S
  • Average mass266.316 Da
  • Monoisotopic mass266.072510 Da
  • ChemSpider ID30656572

More details:

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

Methyl N-(benzoylcarbamothioyl)-β-alaninate [ACD/IUPAC Name]
Methyl-N-(benzoylcarbamothioyl)-β-alaninat [German] [ACD/IUPAC Name]
N-(Benzoylcarbamothioyl)-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[(benzoylamino)thioxomethyl]-, methyl ester [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 71.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.04
ACD/KOC (pH 5.5): 94.50
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 87.75
Polar Surface Area: 100 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 213.1±3.0 cm3

Click to predict properties on the Chemicalize site


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