ChemSpider 2D Image | Dimethyl N-({2-[(4-bromo-3,5-dimethylphenoxy)acetyl]hydrazino}carbonothioyl)aspartate | C17H22BrN3O6S

Dimethyl N-({2-[(4-bromo-3,5-dimethylphenoxy)acetyl]hydrazino}carbonothioyl)aspartate

  • Molecular FormulaC17H22BrN3O6S
  • Average mass476.342 Da
  • Monoisotopic mass475.041260 Da
  • ChemSpider ID102339538

More details:

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

Aspartic acid, N-[[2-[2-(4-bromo-3,5-dimethylphenoxy)acetyl]hydrazinyl]thioxomethyl]-, dimethyl ester [ACD/Index Name]
Dimethyl N-({2-[(4-bromo-3,5-dimethylphenoxy)acetyl]hydrazino}carbonothioyl)aspartate [ACD/IUPAC Name]
Dimethyl-N-({2-[(4-brom-3,5-dimethylphenoxy)acetyl]hydrazino}carbonothioyl)aspartat [German] [ACD/IUPAC Name]
N-({2-[2-(4-Bromo-3,5-diméthylphénoxy)acétyl]hydrazino}carbonothioyl)aspartate de diméthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.66
ACD/KOC (pH 5.5): 519.02
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 34.93
ACD/KOC (pH 7.4): 415.20
Polar Surface Area: 147 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 330.1±3.0 cm3

Click to predict properties on the Chemicalize site


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