ChemSpider 2D Image | O-(4-Pyridinylmethyl) phenylcarbamothioate | C13H12N2OS

O-(4-Pyridinylmethyl) phenylcarbamothioate

  • Molecular FormulaC13H12N2OS
  • Average mass244.312 Da
  • Monoisotopic mass244.067032 Da
  • ChemSpider ID24735740

More details:

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

Carbamothioic acid, N-phenyl-, O-(4-pyridinylmethyl) ester [ACD/Index Name]
O-(4-Pyridinylmethyl) phenylcarbamothioate [ACD/IUPAC Name]
O-(4-Pyridinylmethyl)-phenylcarbamothioat [German] [ACD/IUPAC Name]
Phénylcarbamothioate de O-(4-pyridinylméthyle) [French] [ACD/IUPAC Name]
phenyl-thiocarbamic acid-O-pyridin-4-ylmethyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 385.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 186.8±28.4 °C
Index of Refraction: 1.681
Molar Refractivity: 72.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 38.69
ACD/KOC (pH 5.5): 462.07
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.04
ACD/KOC (pH 7.4): 513.98
Polar Surface Area: 66 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 190.7±3.0 cm3

Click to predict properties on the Chemicalize site


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