ChemSpider 2D Image | 4-[4-(1-Piperidinylmethyl)benzoyl]benzenecarbothialdehyde | C20H21NOS

4-[4-(1-Piperidinylmethyl)benzoyl]benzenecarbothialdehyde

  • Molecular FormulaC20H21NOS
  • Average mass323.452 Da
  • Monoisotopic mass323.134369 Da
  • ChemSpider ID44253790

More details:

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

4-[4-(1-Piperidinylmethyl)benzoyl]benzenecarbothialdehyde [ACD/IUPAC Name]
4-[4-(1-Pipéridinylméthyl)benzoyl]benzènecarbothialdéhyde [French] [ACD/IUPAC Name]
4-[4-(1-Piperidinylmethyl)benzoyl]benzolcarbothialdehyd [German] [ACD/IUPAC Name]
4-{4-[(piperidin-1-yl)methyl]benzoyl}benzene-1-carbothialdehyde
898771-26-1 [RN]
Benzenecarbothioaldehyde, 4-[4-(1-piperidinylmethyl)benzoyl]- [ACD/Index Name]
4-piperidinomethyl-4'-thiomethylbenzophenone
MFCD03841452 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 471.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 239.1±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 7.04
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 55.67
ACD/KOC (pH 7.4): 339.35
Polar Surface Area: 52 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 273.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement