ChemSpider 2D Image | 3-Chloro-5-{[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}-1,2-thiazole-4-carbonitrile | C10H10ClN5S

3-Chloro-5-{[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}-1,2-thiazole-4-carbonitrile

  • Molecular FormulaC10H10ClN5S
  • Average mass267.738 Da
  • Monoisotopic mass267.034546 Da
  • ChemSpider ID64945291

More details:

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

3-Chlor-5-{[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}-1,2-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Chloro-5-{[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}-1,2-thiazole-4-carbonitrile [ACD/IUPAC Name]
3-Chloro-5-{[2-(2-méthyl-1H-imidazol-1-yl)éthyl]amino}-1,2-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]
4-Isothiazolecarbonitrile, 3-chloro-5-[[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 444.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 222.9±28.7 °C
Index of Refraction: 1.709
Molar Refractivity: 70.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.62
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 8.44
ACD/KOC (pH 7.4): 125.36
Polar Surface Area: 95 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 181.3±7.0 cm3

Click to predict properties on the Chemicalize site


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