ChemSpider 2D Image | (2Z)-2-{[1-(4-Isopropylphenyl)-3-(2-thienyl)-1H-pyrazol-4-yl]methylene}-N-(4-methylphenyl)hydrazinecarbothioamide | C25H25N5S2

(2Z)-2-{[1-(4-Isopropylphenyl)-3-(2-thienyl)-1H-pyrazol-4-yl]methylene}-N-(4-methylphenyl)hydrazinecarbothioamide

  • Molecular FormulaC25H25N5S2
  • Average mass459.629 Da
  • Monoisotopic mass459.155121 Da
  • ChemSpider ID76015333

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[1-(4-Isopropylphenyl)-3-(2-thienyl)-1H-pyrazol-4-yl]methylen}-N-(4-methylphenyl)hydrazincarbothioamid [German] [ACD/IUPAC Name]
(2Z)-2-{[1-(4-Isopropylphenyl)-3-(2-thienyl)-1H-pyrazol-4-yl]methylene}-N-(4-methylphenyl)hydrazinecarbothioamide [ACD/IUPAC Name]
(2Z)-2-{[1-(4-Isopropylphényl)-3-(2-thiényl)-1H-pyrazol-4-yl]méthylène}-N-(4-méthylphényl)hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Hydrazinecarbothioamide, 2-[[1-[4-(1-methylethyl)phenyl]-3-(2-thienyl)-1H-pyrazol-4-yl]methylene]-N-(4-methylphenyl)-, (2Z)- [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: 610.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.0±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 138.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 58485.01
ACD/KOC (pH 5.5): 89913.81
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 58284.11
ACD/KOC (pH 7.4): 89604.95
Polar Surface Area: 115 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 370.9±7.0 cm3

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