ChemSpider 2D Image | (2E)-N-({2-[3-(4-Chloro-3-nitro-1H-pyrazol-1-yl)propanoyl]hydrazino}carbonothioyl)-3-phenylacrylamide | C16H15ClN6O4S

(2E)-N-({2-[3-(4-Chloro-3-nitro-1H-pyrazol-1-yl)propanoyl]hydrazino}carbonothioyl)-3-phenylacrylamide

  • Molecular FormulaC16H15ClN6O4S
  • Average mass422.846 Da
  • Monoisotopic mass422.056396 Da
  • ChemSpider ID102324901

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-({2-[3-(4-Chlor-3-nitro-1H-pyrazol-1-yl)propanoyl]hydrazino}carbonothioyl)-3-phenylacrylamid [German] [ACD/IUPAC Name]
(2E)-N-({2-[3-(4-Chloro-3-nitro-1H-pyrazol-1-yl)propanoyl]hydrazino}carbonothioyl)-3-phenylacrylamide [ACD/IUPAC Name]
(2E)-N-({2-[3-(4-Chloro-3-nitro-1H-pyrazol-1-yl)propanoyl]hydrazino}carbonothioyl)-3-phénylacrylamide [French] [ACD/IUPAC Name]
1H-Pyrazole-1-propanoic acid, 4-chloro-3-nitro-, 2-[[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]amino]thioxomethyl]hydrazide [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.14
ACD/KOC (pH 5.5): 155.33
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 3.41
ACD/KOC (pH 7.4): 65.06
Polar Surface Area: 166 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 280.6±7.0 cm3

Click to predict properties on the Chemicalize site


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