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

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

  • Molecular FormulaC16H15ClN6O4S
  • Average mass422.846 Da
  • Monoisotopic mass422.056396 Da
  • ChemSpider ID102335456

  • 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)methyl]benzoyl}hydrazino)carbonothioyl]-2-butenamid [German] [ACD/IUPAC Name]
(2E)-N-[(2-{3-[(4-Chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}hydrazino)carbonothioyl]-2-butenamide [ACD/IUPAC Name]
(2E)-N-[(2-{3-[(4-Chloro-3-nitro-1H-pyrazol-1-yl)méthyl]benzoyl}hydrazino)carbonothioyl]-2-buténamide [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-, 2-[[[(2E)-1-oxo-2-buten-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: 1.686
Molar Refractivity: 106.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.56
ACD/KOC (pH 5.5): 118.32
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 2.71
ACD/KOC (pH 7.4): 57.70
Polar Surface Area: 166 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 279.7±7.0 cm3

Click to predict properties on the Chemicalize site


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