ChemSpider 2D Image | 1,2-Benzothiazole-4-carbaldehyde | C8H5NOS

1,2-Benzothiazole-4-carbaldehyde

  • Molecular FormulaC8H5NOS
  • Average mass163.196 Da
  • Monoisotopic mass163.009186 Da
  • ChemSpider ID45710398

More details:






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

1,2-Benzisothiazole-4-carboxaldehyde [ACD/Index Name]
1,2-Benzothiazol-4-carbaldehyd [German] [ACD/IUPAC Name]
1,2-Benzothiazole-4-carbaldehyde [ACD/IUPAC Name]
1,2-Benzothiazole-4-carbaldéhyde [French] [ACD/IUPAC Name]
1379259-81-0 [RN]
1516012-10-4 [RN]
Benzo[d]isothiazole-4-carbaldehyde
Benzo[d]isothiazole-6-carbaldehyde
MFCD19687656

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 227.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.4±3.0 kJ/mol
Flash Point: 91.4±22.3 °C
Index of Refraction: 1.735
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.24
ACD/KOC (pH 5.5): 220.20
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.43
ACD/KOC (pH 7.4): 223.35
Polar Surface Area: 58 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 117.9±3.0 cm3

Click to predict properties on the Chemicalize site






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