ChemSpider 2D Image | 1-Cycloheptyl-1-[(1-ethyl-1H-indol-3-yl)methyl]-3-[3-(methylsulfanyl)phenyl]thiourea | C26H33N3S2

1-Cycloheptyl-1-[(1-ethyl-1H-indol-3-yl)methyl]-3-[3-(methylsulfanyl)phenyl]thiourea

  • Molecular FormulaC26H33N3S2
  • Average mass451.690 Da
  • Monoisotopic mass451.211578 Da
  • ChemSpider ID28950942

More details:

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

1-Cycloheptyl-1-[(1-ethyl-1H-indol-3-yl)methyl]-3-[3-(methylsulfanyl)phenyl]thioharnstoff [German] [ACD/IUPAC Name]
1-Cycloheptyl-1-[(1-ethyl-1H-indol-3-yl)methyl]-3-[3-(methylsulfanyl)phenyl]thiourea [ACD/IUPAC Name]
1-Cycloheptyl-1-[(1-éthyl-1H-indol-3-yl)méthyl]-3-[3-(méthylsulfanyl)phényl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-cycloheptyl-N-[(1-ethyl-1H-indol-3-yl)methyl]-N'-[3-(methylthio)phenyl]- [ACD/Index Name]
1-CYCLOHEPTYL-1-[(1-ETHYLINDOL-3-YL)METHYL]-3-[3-(METHYLSULFANYL)PHENYL]THIOUREA

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.9±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 137.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 54270.56
ACD/KOC (pH 5.5): 85227.95
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 54268.54
ACD/KOC (pH 7.4): 85224.77
Polar Surface Area: 78 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 384.5±7.0 cm3

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