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Search term: MF = 'C_{16}H_{9}N_{3}OS'
ChemSpider 2D Image | 3-(1,3-Benzothiazol-2-ylethynyl)-1H-indazol-5-ol | C16H9N3OS

3-(1,3-Benzothiazol-2-ylethynyl)-1H-indazol-5-ol

  • Molecular FormulaC16H9N3OS
  • Average mass291.327 Da
  • Monoisotopic mass291.046631 Da
  • ChemSpider ID101849196

More details:

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

1H-Indazol-5-ol, 3-[2-(2-benzothiazolyl)ethynyl]- [ACD/Index Name]
3-(1,3-Benzothiazol-2-ylethinyl)-1H-indazol-5-ol [German] [ACD/IUPAC Name]
3-(1,3-Benzothiazol-2-ylethynyl)-1H-indazol-5-ol [ACD/IUPAC Name]
3-(1,3-Benzothiazol-2-yléthynyl)-1H-indazol-5-ol [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 587.6±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 309.2±30.9 °C
Index of Refraction: 1.847
Molar Refractivity: 83.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.76
ACD/KOC (pH 5.5): 1407.57
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.72
ACD/KOC (pH 7.4): 1359.15
Polar Surface Area: 90 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 105.6±5.0 dyne/cm
Molar Volume: 186.3±5.0 cm3

Click to predict properties on the Chemicalize site


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