ChemSpider 2D Image | 3-Iodo-4-(3-oxetanylsulfanyl)aniline | C9H10INOS

3-Iodo-4-(3-oxetanylsulfanyl)aniline

  • Molecular FormulaC9H10INOS
  • Average mass307.151 Da
  • Monoisotopic mass306.952759 Da
  • ChemSpider ID52317205

More details:

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

3-Iod-4-(3-oxetanylsulfanyl)anilin [German] [ACD/IUPAC Name]
3-Iodo-4-(3-oxetanylsulfanyl)aniline [ACD/IUPAC Name]
3-Iodo-4-(3-oxétanylsulfanyl)aniline [French] [ACD/IUPAC Name]
Benzenamine, 3-iodo-4-(3-oxetanylthio)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 412.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 203.2±28.7 °C
Index of Refraction: 1.718
Molar Refractivity: 64.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.00
ACD/KOC (pH 5.5): 793.01
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.40
ACD/KOC (pH 7.4): 797.05
Polar Surface Area: 61 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 164.5±5.0 cm3

Click to predict properties on the Chemicalize site


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