ChemSpider 2D Image | 6-Fluoro-2-(1,2,3-thiadiazol-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline | C12H12FN3S

6-Fluoro-2-(1,2,3-thiadiazol-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC12H12FN3S
  • Average mass249.307 Da
  • Monoisotopic mass249.073593 Da
  • ChemSpider ID35169970

More details:

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

6-Fluor-2-(1,2,3-thiadiazol-4-ylmethyl)-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
6-Fluoro-2-(1,2,3-thiadiazol-4-ylméthyl)-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
6-Fluoro-2-(1,2,3-thiadiazol-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 6-fluoro-1,2,3,4-tetrahydro-2-(1,2,3-thiadiazol-4-ylmethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 350.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 165.5±30.7 °C
Index of Refraction: 1.626
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 26.81
ACD/KOC (pH 5.5): 319.70
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.98
ACD/KOC (pH 7.4): 512.56
Polar Surface Area: 57 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 185.8±3.0 cm3

Click to predict properties on the Chemicalize site


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