ChemSpider 2D Image | 6-Mercapto-2(1H)-quinolinethione | C9H7NS2

6-Mercapto-2(1H)-quinolinethione

  • Molecular FormulaC9H7NS2
  • Average mass193.289 Da
  • Monoisotopic mass193.001984 Da
  • ChemSpider ID28720724

More details:

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

110131-14-1 [RN]
2(1H)-Quinolinethione, 6-mercapto- [ACD/Index Name]
6-Mercapto-2(1H)-quinolinethione
6-Sulfanyl-2(1H)-chinolinthion [German] [ACD/IUPAC Name]
6-Sulfanyl-2(1H)-quinoléinethione [French] [ACD/IUPAC Name]
6-Sulfanyl-2(1H)-quinolinethione [ACD/IUPAC Name]
6-Sulfanylquinoline-2(1H)-thione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 327.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 151.6±30.7 °C
Index of Refraction: 1.748
Molar Refractivity: 57.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.16
ACD/KOC (pH 5.5): 659.29
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 8.68
ACD/KOC (pH 7.4): 90.61
Polar Surface Area: 83 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 140.4±5.0 cm3

Click to predict properties on the Chemicalize site


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