ChemSpider 2D Image | 2-Amino-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzimidazole-6-carbonitrile | C15H13N5S

2-Amino-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzimidazole-6-carbonitrile

  • Molecular FormulaC15H13N5S
  • Average mass295.362 Da
  • Monoisotopic mass295.089172 Da
  • ChemSpider ID24808748

More details:

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

1H-Benzimidazole-6-carbonitrile, 2-amino-1-(4,5,6,7-tetrahydro-2-benzothiazolyl)- [ACD/Index Name]
2-Amino-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzimidazol-6-carbonitril [German] [ACD/IUPAC Name]
2-Amino-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzimidazole-6-carbonitrile [ACD/IUPAC Name]
2-Amino-1-(4,5,6,7-tétrahydro-1,3-benzothiazol-2-yl)-1H-benzimidazole-6-carbonitrile [French] [ACD/IUPAC Name]
Kinome_2122

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

Density: 1.6±0.1 g/cm3
Boiling Point: 603.2±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.6±29.3 °C
Index of Refraction: 1.837
Molar Refractivity: 83.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 280.59
ACD/KOC (pH 5.5): 1966.68
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 281.04
ACD/KOC (pH 7.4): 1969.85
Polar Surface Area: 109 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 73.7±7.0 dyne/cm
Molar Volume: 188.3±7.0 cm3

Click to predict properties on the Chemicalize site


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