ChemSpider 2D Image | Methyl (1E)-2-{bis[(~2~H_3_)methyl]amino}-N-[(methylcarbamoyl)oxy]-2-oxoethanimidothioate | C7H7D6N3O3S

Methyl (1E)-2-{bis[(2H3)methyl]amino}-N-[(methylcarbamoyl)oxy]-2-oxoethanimidothioate

  • Molecular FormulaC7H7D6N3O3S
  • Average mass225.298 Da
  • Monoisotopic mass225.105423 Da
  • ChemSpider ID77494303

  • 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[(2H3)méthyl]amino}-N-[(méthylcarbamoyl)oxy]-2-oxoéthanimidothioate de méthyle [French] [ACD/IUPAC Name]
Ethanimidothioic acid, 2-(dimethyl-d3-amino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester, (1E)- [ACD/Index Name]
Methyl (1E)-2-{bis[(2H3)methyl]amino}-N-[(methylcarbamoyl)oxy]-2-oxoethanimidothioate [ACD/IUPAC Name]
Methyl-(1E)-2-{bis[(2H3)methyl]amino}-N-[(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: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.13
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.11
Polar Surface Area: 96 Å2
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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