ChemSpider 2D Image | 4-(3-Thienyl)isoquinoline | C13H9NS

4-(3-Thienyl)isoquinoline

  • Molecular FormulaC13H9NS
  • Average mass211.282 Da
  • Monoisotopic mass211.045563 Da
  • ChemSpider ID27524943

More details:

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

112370-12-4 [RN]
4-(3-Thienyl)isochinolin [German] [ACD/IUPAC Name]
4-(3-Thiényl)isoquinoléine [French] [ACD/IUPAC Name]
4-(3-Thienyl)isoquinoline [ACD/IUPAC Name]
4-(Thiophen-3-yl)isoquinoline
Isoquinoline, 4-(3-thienyl)- [ACD/Index Name]
4-(THIOPHEN-3-YL)ISOQUINOLINE|4-(THIOPHEN-3-YL)ISOQUINOLINE
4-thiophen-3-ylisoquinoline
MFCD02260315 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 329.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 146.1±12.7 °C
Index of Refraction: 1.685
Molar Refractivity: 65.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 257.72
ACD/KOC (pH 5.5): 1685.75
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 356.67
ACD/KOC (pH 7.4): 2332.96
Polar Surface Area: 41 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 171.5±3.0 cm3

Click to predict properties on the Chemicalize site


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