ChemSpider 2D Image | 3-Chloro-5-{[2-(1H-imidazol-1-yl)ethyl]amino}-1,2-thiazole-4-carbonitrile | C9H8ClN5S

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

  • Molecular FormulaC9H8ClN5S
  • Average mass253.711 Da
  • Monoisotopic mass253.018890 Da
  • ChemSpider ID30408264

More details:

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

3-Chlor-5-{[2-(1H-imidazol-1-yl)ethyl]amino}-1,2-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Chloro-5-{[2-(1H-imidazol-1-yl)ethyl]amino}-1,2-thiazole-4-carbonitrile [ACD/IUPAC Name]
3-Chloro-5-{[2-(1H-imidazol-1-yl)éthyl]amino}-1,2-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]
4-Isothiazolecarbonitrile, 3-chloro-5-[[2-(1H-imidazol-1-yl)ethyl]amino]- [ACD/Index Name]
1444100-90-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 446.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 224.0±28.7 °C
Index of Refraction: 1.731
Molar Refractivity: 66.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.78
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 9.86
ACD/KOC (pH 7.4): 169.22
Polar Surface Area: 95 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 64.8±7.0 dyne/cm
Molar Volume: 166.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement