ChemSpider 2D Image | 1-(1-Benzothiophen-5-yl)-1H-pyrrole | C12H9NS

1-(1-Benzothiophen-5-yl)-1H-pyrrole

  • Molecular FormulaC12H9NS
  • Average mass199.272 Da
  • Monoisotopic mass199.045563 Da
  • ChemSpider ID32056989

More details:

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

1-(1-Benzothiophen-5-yl)-1H-pyrrol [German] [ACD/IUPAC Name]
1-(1-Benzothiophen-5-yl)-1H-pyrrole [ACD/IUPAC Name]
1-(1-Benzothiophén-5-yl)-1H-pyrrole [French] [ACD/IUPAC Name]
1H-Pyrrole, 1-benzo[b]thien-5-yl- [ACD/Index Name]
1-(1-Benzothienphen-5-yl)-1H-pyrrole
1-(1-BENZOTHIOPHEN-5-YL)PYRROLE
1481442-39-0 [RN]
MFCD21102469

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

Density: 1.2±0.1 g/cm3
Boiling Point: 348.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 164.6±20.4 °C
Index of Refraction: 1.672
Molar Refractivity: 62.0±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 932.08
ACD/KOC (pH 5.5): 4646.59
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 932.08
ACD/KOC (pH 7.4): 4646.59
Polar Surface Area: 33 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 165.5±7.0 cm3

Click to predict properties on the Chemicalize site


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