ChemSpider 2D Image | 6-(2-Aminophenoxy)-1,2-benzothiazol-3-amine | C13H11N3OS

6-(2-Aminophenoxy)-1,2-benzothiazol-3-amine

  • Molecular FormulaC13H11N3OS
  • Average mass257.311 Da
  • Monoisotopic mass257.062286 Da
  • ChemSpider ID24691458

More details:

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

1,2-Benzisothiazol-3-amine, 6-(2-aminophenoxy)- [ACD/Index Name]
6-(2-Aminophenoxy)-1,2-benzothiazol-3-amin [German] [ACD/IUPAC Name]
6-(2-Aminophenoxy)-1,2-benzothiazol-3-amine [ACD/IUPAC Name]
6-(2-Aminophénoxy)-1,2-benzothiazol-3-amine [French] [ACD/IUPAC Name]
613262-61-6 [RN]
6-(2-Aminophenoxy)benzo[d]isothiazol-3-amine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458612/

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

CCRIS 4693 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 388.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 189.0±27.9 °C
Index of Refraction: 1.771
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.16
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 16.96
ACD/KOC (pH 7.4): 228.31
Polar Surface Area: 102 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 181.4±3.0 cm3

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