ChemSpider 2D Image | 5-(3-Iodophenoxy)-1,3-benzothiazol-4-amine | C13H9IN2OS

5-(3-Iodophenoxy)-1,3-benzothiazol-4-amine

  • Molecular FormulaC13H9IN2OS
  • Average mass368.193 Da
  • Monoisotopic mass367.948029 Da
  • ChemSpider ID33213563

More details:

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

4-Benzothiazolamine, 5-(3-iodophenoxy)- [ACD/Index Name]
5-(3-Iodophenoxy)-1,3-benzothiazol-4-amine [ACD/IUPAC Name]
5-(3-Iodophénoxy)-1,3-benzothiazol-4-amine [French] [ACD/IUPAC Name]
5-(3-Iodphenoxy)-1,3-benzothiazol-4-amin [German] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 462.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.7±27.3 °C
Index of Refraction: 1.777
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 188.05
ACD/KOC (pH 5.5): 1477.05
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 188.27
ACD/KOC (pH 7.4): 1478.78
Polar Surface Area: 76 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 69.5±3.0 dyne/cm
Molar Volume: 201.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement