ChemSpider 2D Image | Methyl {[1-methoxy(4,5,6,7-~2~H_4_)-1H-indol-3-yl]methyl}carbamodithioate | C12H10D4N2OS2

Methyl {[1-methoxy(4,5,6,7-2H4)-1H-indol-3-yl]methyl}carbamodithioate

  • Molecular FormulaC12H10D4N2OS2
  • Average mass270.407 Da
  • Monoisotopic mass270.079865 Da
  • ChemSpider ID9761884

  • Non-standard isotope - Non-standard isotope

More details:

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

{[1-Méthoxy(4,5,6,7-2H4)-1H-indol-3-yl]méthyl}carbamodithioate de méthyle [French] [ACD/IUPAC Name]
Carbamodithioic acid, N-[(1-methoxy-1H-indol-3-yl-4,5,6,7-d4)methyl]-, methyl ester [ACD/Index Name]
Methyl {[1-methoxy(4,5,6,7-2H4)-1H-indol-3-yl]methyl}carbamodithioate [ACD/IUPAC Name]
Methyl-{[1-methoxy(4,5,6,7-2H4)-1H-indol-3-yl]methyl}carbamodithioat [German] [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: 422.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 209.6±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 75.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 142.30
ACD/KOC (pH 5.5): 1210.25
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 142.30
ACD/KOC (pH 7.4): 1210.24
Polar Surface Area: 84 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 212.2±7.0 cm3

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