ChemSpider 2D Image | 1-[3-(Methylsulfanyl)phenyl]-3-[1-(5,6,7,8-tetrahydro-2-naphthalenyl)propyl]thiourea | C21H26N2S2

1-[3-(Methylsulfanyl)phenyl]-3-[1-(5,6,7,8-tetrahydro-2-naphthalenyl)propyl]thiourea

  • Molecular FormulaC21H26N2S2
  • Average mass370.574 Da
  • Monoisotopic mass370.153748 Da
  • ChemSpider ID60450621

More details:






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

1-[3-(Méthylsulfanyl)phényl]-3-[1-(5,6,7,8-tétrahydro-2-naphtalényl)propyl]thiourée [French] [ACD/IUPAC Name]
1-[3-(Methylsulfanyl)phenyl]-3-[1-(5,6,7,8-tetrahydro-2-naphthalenyl)propyl]thiourea [ACD/IUPAC Name]
1-[3-(Methylsulfanyl)phenyl]-3-[1-(5,6,7,8-tetrahydro-2-naphthalinyl)propyl]thioharnstoff [German] [ACD/IUPAC Name]
Thiourea, N-[3-(methylthio)phenyl]-N'-[1-(5,6,7,8-tetrahydro-2-naphthalenyl)propyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 516.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 266.1±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 113.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16800.17
ACD/KOC (pH 5.5): 36818.52
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16799.15
ACD/KOC (pH 7.4): 36816.29
Polar Surface Area: 81 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 311.9±5.0 cm3

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