ChemSpider 2D Image | Methyl {[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}carbamodithioate | C11H12N2O2S2

Methyl {[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}carbamodithioate

  • Molecular FormulaC11H12N2O2S2
  • Average mass268.355 Da
  • Monoisotopic mass268.034027 Da
  • ChemSpider ID75555705

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{[(3R)-3-Hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]méthyl}carbamodithioate de méthyle [French] [ACD/IUPAC Name]
Carbamodithioic acid, N-[[(3R)-2,3-dihydro-3-hydroxy-2-oxo-1H-indol-3-yl]methyl]-, methyl ester [ACD/Index Name]
Methyl {[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}carbamodithioate [ACD/IUPAC Name]
Methyl-{[(3R)-3-hydroxy-2-oxo-2,3-dihydro-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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.56
ACD/KOC (pH 5.5): 103.12
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.56
ACD/KOC (pH 7.4): 103.10
Polar Surface Area: 119 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 71.0±3.0 dyne/cm
Molar Volume: 188.3±3.0 cm3

Click to predict properties on the Chemicalize site


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