Found 42 results

Search term: MF = 'C_{16}H_{15}ClN_{6}O_{4}S'
ChemSpider 2D Image | (2E)-N-[(2-{[1-(4-Chlorobenzyl)-3-nitro-1H-pyrazol-5-yl]carbonyl}hydrazino)carbonothioyl]-2-butenamide | C16H15ClN6O4S

(2E)-N-[(2-{[1-(4-Chlorobenzyl)-3-nitro-1H-pyrazol-5-yl]carbonyl}hydrazino)carbonothioyl]-2-butenamide

  • Molecular FormulaC16H15ClN6O4S
  • Average mass422.846 Da
  • Monoisotopic mass422.056396 Da
  • ChemSpider ID102436033

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-[(2-{[1-(4-Chlorbenzyl)-3-nitro-1H-pyrazol-5-yl]carbonyl}hydrazino)carbonothioyl]-2-butenamid [German] [ACD/IUPAC Name]
(2E)-N-[(2-{[1-(4-Chlorobenzyl)-3-nitro-1H-pyrazol-5-yl]carbonyl}hydrazino)carbonothioyl]-2-butenamide [ACD/IUPAC Name]
(2E)-N-[(2-{[1-(4-Chlorobenzyl)-3-nitro-1H-pyrazol-5-yl]carbonyl}hydrazino)carbonothioyl]-2-buténamide [French] [ACD/IUPAC Name]
1H-Pyrazole-5-carboxylic acid, 1-[(4-chlorophenyl)methyl]-3-nitro-, 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: 1.66
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.67
ACD/KOC (pH 5.5): 102.56
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.28
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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