Found 37 results

Search term: MF = 'C_{13}H_{9}IN_{2}S'
ChemSpider 2D Image | 4-(1,3-Benzothiazol-2-yl)-3-iodoaniline | C13H9IN2S

4-(1,3-Benzothiazol-2-yl)-3-iodoaniline

  • Molecular FormulaC13H9IN2S
  • Average mass352.193 Da
  • Monoisotopic mass351.953094 Da
  • ChemSpider ID23198324

More details:

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

4-(1,3-Benzothiazol-2-yl)-3-iodanilin [German] [ACD/IUPAC Name]
4-(1,3-Benzothiazol-2-yl)-3-iodoaniline [ACD/IUPAC Name]
4-(1,3-Benzothiazol-2-yl)-3-iodoaniline [French] [ACD/IUPAC Name]
Benzenamine, 4-(2-benzothiazolyl)-3-iodo- [ACD/Index Name]
4-Benzothiazol-2-yl-3-iodo-phenylamine

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

Density: 1.8±0.1 g/cm3
Boiling Point: 487.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.6±31.5 °C
Index of Refraction: 1.782
Molar Refractivity: 82.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 760.31
ACD/KOC (pH 5.5): 4016.06
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 760.39
ACD/KOC (pH 7.4): 4016.49
Polar Surface Area: 67 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 195.9±3.0 cm3

Click to predict properties on the Chemicalize site


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