Found 1 result

Search term: 78442457 (Found by CSID)
ChemSpider 2D Image | 3-[(1R,2S,3S,4S,6R)-4-Chloro-6-isopropenyl-2-isothiocyanato-3-methyl-3-vinylcyclohexyl]-1H-indole | C21H23ClN2S

3-[(1R,2S,3S,4S,6R)-4-Chloro-6-isopropenyl-2-isothiocyanato-3-methyl-3-vinylcyclohexyl]-1H-indole

  • Molecular FormulaC21H23ClN2S
  • Average mass370.939 Da
  • Monoisotopic mass370.127045 Da
  • ChemSpider ID78442457

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1H-Indole, 3-[(1R,2S,3S,4S,6R)-4-chloro-3-ethenyl-2-isothiocyanato-3-methyl-6-(1-methylethenyl)cyclohexyl]- [ACD/Index Name]
3-[(1R,2S,3S,4S,6R)-4-Chlor-6-isopropenyl-2-isothiocyanato-3-methyl-3-vinylcyclohexyl]-1H-indol [German] [ACD/IUPAC Name]
3-[(1R,2S,3S,4S,6R)-4-Chloro-6-isopropenyl-2-isothiocyanato-3-methyl-3-vinylcyclohexyl]-1H-indole [ACD/IUPAC Name]
3-[(1R,2S,3S,4S,6R)-4-Chloro-6-isopropényl-2-isothiocyanato-3-méthyl-3-vinylcyclohexyl]-1H-indole [French] [ACD/IUPAC Name]
Hapalindole F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 278.2±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 109.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 85358.69
ACD/KOC (pH 5.5): 117860.09
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 85358.69
ACD/KOC (pH 7.4): 117860.09
Polar Surface Area: 60 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 38.4±7.0 dyne/cm
Molar Volume: 314.3±7.0 cm3

Click to predict properties on the Chemicalize site


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