ChemSpider 2D Image | 5-[(2-Methoxyethyl)sulfanyl]-1,3-dimethyl-4-nitro-1H-pyrazole | C8H13N3O3S

5-[(2-Methoxyethyl)sulfanyl]-1,3-dimethyl-4-nitro-1H-pyrazole

  • Molecular FormulaC8H13N3O3S
  • Average mass231.272 Da
  • Monoisotopic mass231.067764 Da
  • ChemSpider ID30459565

More details:

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

1H-Pyrazole, 5-[(2-methoxyethyl)thio]-1,3-dimethyl-4-nitro- [ACD/Index Name]
5-[(2-Methoxyethyl)sulfanyl]-1,3-dimethyl-4-nitro-1H-pyrazol [German] [ACD/IUPAC Name]
5-[(2-Methoxyethyl)sulfanyl]-1,3-dimethyl-4-nitro-1H-pyrazole [ACD/IUPAC Name]
5-[(2-Méthoxyéthyl)sulfanyl]-1,3-diméthyl-4-nitro-1H-pyrazole [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 340.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 159.9±27.9 °C
Index of Refraction: 1.591
Molar Refractivity: 58.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.46
ACD/KOC (pH 5.5): 247.10
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.46
ACD/KOC (pH 7.4): 247.10
Polar Surface Area: 98 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 172.2±7.0 cm3

Click to predict properties on the Chemicalize site


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