Found 37 results

Search term: MF = 'C_{13}H_{9}IN_{2}S'
ChemSpider 2D Image | 4-[(2-Amino-4-iodophenyl)sulfanyl]benzonitrile | C13H9IN2S

4-[(2-Amino-4-iodophenyl)sulfanyl]benzonitrile

  • Molecular FormulaC13H9IN2S
  • Average mass352.193 Da
  • Monoisotopic mass351.953094 Da
  • ChemSpider ID111260639

More details:

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

4-[(2-Amino-4-iodophenyl)sulfanyl]benzonitrile [ACD/IUPAC Name]
4-[(2-Amino-4-iodophényl)sulfanyl]benzonitrile [French] [ACD/IUPAC Name]
4-[(2-Amino-4-iodphenyl)sulfanyl]benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[(2-amino-4-iodophenyl)thio]- [ACD/Index 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: 486.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 248.0±28.7 °C
Index of Refraction: 1.754
Molar Refractivity: 80.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 703.55
ACD/KOC (pH 5.5): 3798.55
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 703.97
ACD/KOC (pH 7.4): 3800.86
Polar Surface Area: 75 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 197.1±5.0 cm3

Click to predict properties on the Chemicalize site


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