Found 23 results

Search term: MF = 'C_{3}H_{3}BrN_{2}S'
ChemSpider 2D Image | 4-Bromo-1H-pyrazole-5-thiol | C3H3BrN2S

4-Bromo-1H-pyrazole-5-thiol

  • Molecular FormulaC3H3BrN2S
  • Average mass179.038 Da
  • Monoisotopic mass177.920029 Da
  • ChemSpider ID65445738

More details:

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

1H-Pyrazole-5-thiol, 4-bromo- [ACD/Index Name]
4-Brom-1H-pyrazol-5-thiol [German] [ACD/IUPAC Name]
4-Bromo-1H-pyrazole-5-thiol [ACD/IUPAC Name]
4-Bromo-1H-pyrazole-5-thiol [French] [ACD/IUPAC Name]
MFCD32772859

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

Density: 2.0±0.1 g/cm3
Boiling Point: 360.2±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 171.6±23.7 °C
Index of Refraction: 1.699
Molar Refractivity: 34.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 9.20
ACD/KOC (pH 5.5): 145.11
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.91
Polar Surface Area: 67 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 89.8±3.0 cm3

Click to predict properties on the Chemicalize site


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