ChemSpider 2D Image | (3,5-Dibromo-1H-pyrazol-4-yl)ethanethioic S-acid | C5H4Br2N2OS

(3,5-Dibromo-1H-pyrazol-4-yl)ethanethioic S-acid

  • Molecular FormulaC5H4Br2N2OS
  • Average mass299.971 Da
  • Monoisotopic mass297.841095 Da
  • ChemSpider ID97375637

More details:

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

(3,5-Dibrom-1H-pyrazol-4-yl)ethanthio-S-säure [German] [ACD/IUPAC Name]
(3,5-Dibromo-1H-pyrazol-4-yl)ethanethioic S-acid [ACD/IUPAC Name]
1H-Pyrazole-4-ethanethioic acid, 3,5-dibromo- [ACD/Index Name]
S-Acide de (3,5-dibromo-1H-pyrazol-4-yl)éthanethioïque [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 462.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.8±28.7 °C
Index of Refraction: 1.676
Molar Refractivity: 51.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 137.3±3.0 cm3

Click to predict properties on the Chemicalize site


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