ChemSpider 2D Image | N-(2-Chloroethyl)-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furoyl}hydrazinecarbothioamide | C12H13ClN6O4S

N-(2-Chloroethyl)-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furoyl}hydrazinecarbothioamide

  • Molecular FormulaC12H13ClN6O4S
  • Average mass372.787 Da
  • Monoisotopic mass372.040741 Da
  • ChemSpider ID102333204

More details:

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

2-Furancarboxylic acid, 5-[(4-nitro-1H-pyrazol-1-yl)methyl]-, 2-[[(2-chloroethyl)amino]thioxomethyl]hydrazide [ACD/Index Name]
N-(2-Chlorethyl)-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furoyl}hydrazincarbothioamid [German] [ACD/IUPAC Name]
N-(2-Chloroethyl)-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furoyl}hydrazinecarbothioamide [ACD/IUPAC Name]
N-(2-Chloroéthyl)-2-{5-[(4-nitro-1H-pyrazol-1-yl)méthyl]-2-furoyl}hydrazinecarbothioamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.716
Molar Refractivity: 88.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.11
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 51.33
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 48.55
Polar Surface Area: 162 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 68.6±7.0 dyne/cm
Molar Volume: 225.6±7.0 cm3

Click to predict properties on the Chemicalize site


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