ChemSpider 2D Image | 7-Isothiocyanato-1,2,3,4-tetrahydroisoquinoline | C10H10N2S

7-Isothiocyanato-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC10H10N2S
  • Average mass190.265 Da
  • Monoisotopic mass190.056473 Da
  • ChemSpider ID24691617

More details:

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

7-Isothiocyanato-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
7-Isothiocyanato-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
7-Isothiocyanato-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 1,2,3,4-tetrahydro-7-isothiocyanato- [ACD/Index Name]
1143475-95-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL459366/
MFCD20686970

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

Density: 1.2±0.1 g/cm3
Boiling Point: 350.4±42.0 °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: 165.7±27.9 °C
Index of Refraction: 1.658
Molar Refractivity: 57.0±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.62
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 5.76
ACD/KOC (pH 7.4): 48.21
Polar Surface Area: 56 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 154.6±7.0 cm3

Click to predict properties on the Chemicalize site


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