ChemSpider 2D Image | Dimethyl N-{[2-(1H-1,2,4-triazol-3-ylcarbonyl)hydrazino]carbonothioyl}aspartate | C10H14N6O5S

Dimethyl N-{[2-(1H-1,2,4-triazol-3-ylcarbonyl)hydrazino]carbonothioyl}aspartate

  • Molecular FormulaC10H14N6O5S
  • Average mass330.320 Da
  • Monoisotopic mass330.074646 Da
  • ChemSpider ID102289834

More details:






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

Aspartic acid, N-[thioxo[2-(1H-1,2,4-triazol-3-ylcarbonyl)hydrazinyl]methyl]-, dimethyl ester [ACD/Index Name]
Dimethyl N-{[2-(1H-1,2,4-triazol-3-ylcarbonyl)hydrazino]carbonothioyl}aspartate [ACD/IUPAC Name]
Dimethyl-N-{[2-(1H-1,2,4-triazol-3-ylcarbonyl)hydrazino]carbonothioyl}aspartat [German] [ACD/IUPAC Name]
N-{[2-(1H-1,2,4-Triazol-3-ylcarbonyl)hydrazino]carbonothioyl}aspartate de diméthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.61
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.30
Polar Surface Area: 179 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 74.3±3.0 dyne/cm
Molar Volume: 223.6±3.0 cm3

Click to predict properties on the Chemicalize site






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