ChemSpider 2D Image | 2-Methyl-2-propanyl N-({2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazino}carbonothioyl)-beta-alaninate | C13H21N7O5S

2-Methyl-2-propanyl N-({2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazino}carbonothioyl)-β-alaninate

  • Molecular FormulaC13H21N7O5S
  • Average mass387.415 Da
  • Monoisotopic mass387.132477 Da
  • ChemSpider ID102420478

More details:

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

2-Methyl-2-propanyl N-({2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazino}carbonothioyl)-β-alaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-({2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazino}carbonothioyl)-β-alaninat [German] [ACD/IUPAC Name]
N-({2-[3-(3-Nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazino}carbonothioyl)-β-alaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-oxopropyl]hydrazinyl]thioxomethyl]-, 1,1-dimethylethyl ester [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: 1.636
Molar Refractivity: 95.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.53
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.72
Polar Surface Area: 188 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 265.6±7.0 cm3

Click to predict properties on the Chemicalize site


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