ChemSpider 2D Image | 1,3-Benzothiazole-4-carbaldehyde | C8H5NOS

1,3-Benzothiazole-4-carbaldehyde

  • Molecular FormulaC8H5NOS
  • Average mass163.196 Da
  • Monoisotopic mass163.009186 Da
  • ChemSpider ID27261602

More details:






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

1,3-Benzothiazol-4-carbaldehyd [German] [ACD/IUPAC Name]
1,3-Benzothiazole-4-carbaldehyde [ACD/IUPAC Name]
1,3-Benzothiazole-4-carbaldéhyde [French] [ACD/IUPAC Name]
4-Benzothiazolecarboxaldehyde [ACD/Index Name]
1213833-90-9 [RN]
4-benzothiazolecarbaldehyde
benzo[d]thiazole-4-carbaldehyde
MFCD22394756

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

Density: 1.4±0.1 g/cm3
Boiling Point: 311.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.2±3.0 kJ/mol
Flash Point: 142.1±20.4 °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: 1.43
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.35
ACD/KOC (pH 5.5): 145.13
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.35
ACD/KOC (pH 7.4): 145.13
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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