ChemSpider 2D Image | N-(3-Cyano-4-fluorophenyl)-2-pyridinecarbothioamide | C13H8FN3S

N-(3-Cyano-4-fluorophenyl)-2-pyridinecarbothioamide

  • Molecular FormulaC13H8FN3S
  • Average mass257.286 Da
  • Monoisotopic mass257.042297 Da
  • ChemSpider ID23197806

More details:

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

2-Pyridinecarbothioamide, N-(3-cyano-4-fluorophenyl)- [ACD/Index Name]
N-(3-Cyan-4-fluorphenyl)-2-pyridincarbothioamid [German] [ACD/IUPAC Name]
N-(3-Cyano-4-fluorophenyl)-2-pyridinecarbothioamide [ACD/IUPAC Name]
N-(3-Cyano-4-fluorophényl)-2-pyridinecarbothioamide [French] [ACD/IUPAC Name]
N-(3-cyano-4-fluorophenyl)pyridine-2-carbothioamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL325190/
Pyridine-2-carbothioic acid (3-cyano-4-fluoro-phenyl)-amide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 397.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.3±30.7 °C
Index of Refraction: 1.663
Molar Refractivity: 69.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 33.04
ACD/KOC (pH 5.5): 425.54
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.69
ACD/KOC (pH 7.4): 421.02
Polar Surface Area: 81 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 187.1±5.0 cm3

Click to predict properties on the Chemicalize site


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