Found 488 results

Search term: MF = 'C_{16}H_{9}N_{3}OS'
ChemSpider 2D Image | 2-[(2-Amino-3-oxido-1,3-benzothiazol-5-yl)ethynyl]benzonitrile | C16H9N3OS

2-[(2-Amino-3-oxido-1,3-benzothiazol-5-yl)ethynyl]benzonitrile

  • Molecular FormulaC16H9N3OS
  • Average mass291.327 Da
  • Monoisotopic mass291.046631 Da
  • ChemSpider ID114488558

More details:

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

2-[(2-Amino-3-oxido-1,3-benzothiazol-5-yl)ethinyl]benzonitril [German] [ACD/IUPAC Name]
2-[(2-Amino-3-oxido-1,3-benzothiazol-5-yl)ethynyl]benzonitrile [ACD/IUPAC Name]
2-[(2-Amino-3-oxydo-1,3-benzothiazol-5-yl)éthynyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[2-(2-amino-3-oxido-5-benzothiazolyl)ethynyl]- [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: 585.7±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.0±31.8 °C
Index of Refraction: 1.697
Molar Refractivity: 85.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.13
ACD/KOC (pH 5.5): 219.82
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.13
ACD/KOC (pH 7.4): 219.85
Polar Surface Area: 104 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 220.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement