ChemSpider 2D Image | [(2-{[(4-Nitro-1H-pyrazol-1-yl)acetyl]amino}ethyl)sulfanyl]acetic acid | C9H12N4O5S

[(2-{[(4-Nitro-1H-pyrazol-1-yl)acetyl]amino}ethyl)sulfanyl]acetic acid

  • Molecular FormulaC9H12N4O5S
  • Average mass288.280 Da
  • Monoisotopic mass288.052826 Da
  • ChemSpider ID54341737

More details:

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

[(2-{[(4-Nitro-1H-pyrazol-1-yl)acetyl]amino}ethyl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(2-{[(4-Nitro-1H-pyrazol-1-yl)acetyl]amino}ethyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[[2-(4-nitro-1H-pyrazol-1-yl)acetyl]amino]ethyl]thio]- [ACD/Index Name]
Acide [(2-{[2-(4-nitro-1H-pyrazol-1-yl)acétyl]amino}éthyl)sulfanyl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 629.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 334.4±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 67.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 75.0±7.0 dyne/cm
Molar Volume: 181.0±7.0 cm3

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