ChemSpider 2D Image | 1,2-Benzothiazole-5-carbaldehyde | C8H5NOS

1,2-Benzothiazole-5-carbaldehyde

  • Molecular FormulaC8H5NOS
  • Average mass163.196 Da
  • Monoisotopic mass163.009186 Da
  • ChemSpider ID27653384

More details:






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

1,2-Benzisothiazole-5-carboxaldehyde [ACD/Index Name]
1,2-Benzothiazol-5-carbaldehyd [German] [ACD/IUPAC Name]
1,2-Benzothiazole-5-carbaldehyde [ACD/IUPAC Name]
1,2-Benzothiazole-5-carbaldéhyde [French] [ACD/IUPAC Name]
1187243-11-3 [RN]
1354746-44-3 [RN]
Benzo[d]isothiazole-5-carbaldehyde
Benzo[d]isothiazole-7-carbaldehyde
MFCD22380533

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): 220.23
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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