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Search term: ADPQTYQGRNTBAV-CCEZHUSRSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (2E)-2-(Phenylimino)-1-benzothiophen-3(2H)-one | C14H9NOS

(2E)-2-(Phenylimino)-1-benzothiophen-3(2H)-one

  • Molecular FormulaC14H9NOS
  • Average mass239.292 Da
  • Monoisotopic mass239.040482 Da
  • ChemSpider ID21537617
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-2-(Phenylimino)-1-benzothiophen-3(2H)-on [German] [ACD/IUPAC Name]
(2E)-2-(Phenylimino)-1-benzothiophen-3(2H)-one [ACD/IUPAC Name]
(2E)-2-(Phénylimino)-1-benzothiophén-3(2H)-one [French] [ACD/IUPAC Name]
Benzo[b]thiophen-3(2H)-one, 2-(phenylimino)-, (2E)- [ACD/Index Name]
(2E)-2-(PHENYLIMINO)-1-BENZOTHIOPHEN-3-ONE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 421.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.5±24.0 °C
Index of Refraction: 1.677
Molar Refractivity: 71.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 413.10
ACD/KOC (pH 5.5): 2595.24
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 413.10
ACD/KOC (pH 7.4): 2595.25
Polar Surface Area: 55 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 188.9±7.0 cm3

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