ChemSpider 2D Image | 1-Cyclopentyl-1-(1H-indol-3-ylmethyl)-3-[3-(methylsulfanyl)phenyl]thiourea | C22H25N3S2

1-Cyclopentyl-1-(1H-indol-3-ylmethyl)-3-[3-(methylsulfanyl)phenyl]thiourea

  • Molecular FormulaC22H25N3S2
  • Average mass395.584 Da
  • Monoisotopic mass395.148987 Da
  • ChemSpider ID28950743

More details:

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

1-Cyclopentyl-1-(1H-indol-3-ylmethyl)-3-[3-(methylsulfanyl)phenyl]thioharnstoff [German] [ACD/IUPAC Name]
1-Cyclopentyl-1-(1H-indol-3-ylmethyl)-3-[3-(methylsulfanyl)phenyl]thiourea [ACD/IUPAC Name]
1-Cyclopentyl-1-(1H-indol-3-ylméthyl)-3-[3-(méthylsulfanyl)phényl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-cyclopentyl-N-(1H-indol-3-ylmethyl)-N'-[3-(methylthio)phenyl]- [ACD/Index Name]
3-CYCLOPENTYL-3-(1H-INDOL-3-YLMETHYL)-1-[3-(METHYLSULFANYL)PHENYL]THIOUREA
3-CYCLOPENTYL-3-[(1H-INDOL-3-YL)METHYL]-1-[3-(METHYLSULFANYL)PHENYL]THIOUREA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 583.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 306.9±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 120.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3962.12
ACD/KOC (pH 5.5): 13091.51
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3961.98
ACD/KOC (pH 7.4): 13091.06
Polar Surface Area: 88 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 308.3±5.0 cm3

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