ChemSpider 2D Image | 1-Cycloheptyl-3-{4-[(phenylsulfanyl)methyl]phenyl}thiourea | C21H26N2S2

1-Cycloheptyl-3-{4-[(phenylsulfanyl)methyl]phenyl}thiourea

  • Molecular FormulaC21H26N2S2
  • Average mass370.574 Da
  • Monoisotopic mass370.153748 Da
  • ChemSpider ID80913444

More details:

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

1-Cycloheptyl-3-{4-[(phenylsulfanyl)methyl]phenyl}thioharnstoff [German] [ACD/IUPAC Name]
1-Cycloheptyl-3-{4-[(phenylsulfanyl)methyl]phenyl}thiourea [ACD/IUPAC Name]
1-Cycloheptyl-3-{4-[(phénylsulfanyl)méthyl]phényl}thiourée [French] [ACD/IUPAC Name]
Thiourea, N-cycloheptyl-N'-[4-[(phenylthio)methyl]phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 264.0±32.9 °C
Index of Refraction: 1.646
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: 5.09
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8409.59
ACD/KOC (pH 5.5): 22435.90
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8409.39
ACD/KOC (pH 7.4): 22435.36
Polar Surface Area: 81 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 312.9±5.0 cm3

Click to predict properties on the Chemicalize site


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