Found 1 result

Search term: JPCJTDAXGXCKNW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5S)-5-Phenyl-3-(2-pyridinyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide | C15H14N4S

(5S)-5-Phenyl-3-(2-pyridinyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

  • Molecular FormulaC15H14N4S
  • Average mass282.363 Da
  • Monoisotopic mass282.093903 Da
  • ChemSpider ID34226187

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-Phenyl-3-(2-pyridinyl)-4,5-dihydro-1H-pyrazol-1-carbothioamid [German] [ACD/IUPAC Name]
(5S)-5-Phenyl-3-(2-pyridinyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide [ACD/IUPAC Name]
(5S)-5-Phényl-3-(2-pyridinyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide [French] [ACD/IUPAC Name]
1H-Pyrazole-1-carbothioamide, 4,5-dihydro-5-phenyl-3-(2-pyridinyl)-, (5S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 472.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.7±31.5 °C
Index of Refraction: 1.706
Molar Refractivity: 83.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 15.99
ACD/KOC (pH 5.5): 252.71
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.08
ACD/KOC (pH 7.4): 254.10
Polar Surface Area: 87 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 214.2±7.0 cm3

Click to predict properties on the Chemicalize site


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