ChemSpider 2D Image | Methyl N-({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazino}carbonothioyl)alaninate | C12H18N6O6S

Methyl N-({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazino}carbonothioyl)alaninate

  • Molecular FormulaC12H18N6O6S
  • Average mass374.373 Da
  • Monoisotopic mass374.100861 Da
  • ChemSpider ID102329618

More details:

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

Alanine, N-[[2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)-1-oxopropyl]hydrazinyl]thioxomethyl]-, methyl ester [ACD/Index Name]
Methyl N-({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazino}carbonothioyl)alaninate [ACD/IUPAC Name]
Methyl-N-({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazino}carbonothioyl)alaninat [German] [ACD/IUPAC Name]
N-({2-[2-(3-Méthoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazino}carbonothioyl)alaninate de méthyle [French] [ACD/IUPAC 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: 1.639
Molar Refractivity: 88.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.37
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.43
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.09
Polar Surface Area: 184 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 245.0±7.0 cm3

Click to predict properties on the Chemicalize site


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