ChemSpider 2D Image | 4-(2-{[2-(2-Thienyl)ethyl]amino}-1,3-thiazol-4-yl)benzonitrile | C16H13N3S2

4-(2-{[2-(2-Thienyl)ethyl]amino}-1,3-thiazol-4-yl)benzonitrile

  • Molecular FormulaC16H13N3S2
  • Average mass311.424 Da
  • Monoisotopic mass311.055084 Da
  • ChemSpider ID22100751

More details:

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

4-(2-{[2-(2-Thienyl)ethyl]amino}-1,3-thiazol-4-yl)benzonitril [German] [ACD/IUPAC Name]
4-(2-{[2-(2-Thienyl)ethyl]amino}-1,3-thiazol-4-yl)benzonitrile [ACD/IUPAC Name]
4-(2-{[2-(2-Thiényl)éthyl]amino}-1,3-thiazol-4-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[2-[[2-(2-thienyl)ethyl]amino]-4-thiazolyl]- [ACD/Index 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: 524.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.8±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 648.31
ACD/KOC (pH 5.5): 3577.08
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 652.20
ACD/KOC (pH 7.4): 3598.52
Polar Surface Area: 105 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 232.9±5.0 cm3

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