ChemSpider 2D Image | Methyl (1E)-2-{bis[(~13~C)methyl]amino}-N-{[(~13~C)methylcarbamoyl]oxy}-2-oxoethanimidothioate | C413C3H13N3O3S

Methyl (1E)-2-{bis[(13C)methyl]amino}-N-{[(13C)methylcarbamoyl]oxy}-2-oxoethanimidothioate

  • Molecular FormulaC413C3H13N3O3S
  • Average mass222.239 Da
  • Monoisotopic mass222.077820 Da
  • ChemSpider ID111127908

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(1E)-2-{Bis[(13C)méthyl]amino}-N-{[(13C)méthylcarbamoyl]oxy}-2-oxoéthanimidothioate de méthyle [French] [ACD/IUPAC Name]
Ethanimidothioic acid, 2-(dimethyl-13C-amino)-N-[[(methyl-13C-amino)carbonyl]oxy]-2-oxo-, methyl ester, (1E)- [ACD/Index Name]
Methyl (1E)-2-{bis[(13C)methyl]amino}-N-{[(13C)methylcarbamoyl]oxy}-2-oxoethanimidothioate [ACD/IUPAC Name]
Methyl-(1E)-2-{bis[(13C)methyl]amino}-N-{[(13C)methylcarbamoyl]oxy}-2-oxoethanimidothioat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.532
Molar Refractivity: 55.0±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 177.6±7.0 cm3

Click to predict properties on the Chemicalize site


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