ChemSpider 2D Image | 1-[(E)-(Carbamothioylhydrazono)methyl]-5-isoquinolinyl ethyl carbonate | C14H14N4O3S

1-[(E)-(Carbamothioylhydrazono)methyl]-5-isoquinolinyl ethyl carbonate

  • Molecular FormulaC14H14N4O3S
  • Average mass318.351 Da
  • Monoisotopic mass318.078674 Da
  • ChemSpider ID57479730

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(E)-(Carbamothioylhydrazono)methyl]-5-isochinolinyl-ethylcarbonat [German] [ACD/IUPAC Name]
1-[(E)-(Carbamothioylhydrazono)methyl]-5-isoquinolinyl ethyl carbonate [ACD/IUPAC Name]
Carbonate de 1-[(E)-(carbamothioylhydrazono)méthyl]-5-isoquinoléinyle et d'éthyle [French] [ACD/IUPAC Name]
Carbonic acid, 1-[(E)-[2-(aminothioxomethyl)hydrazinylidene]methyl]-5-isoquinolinyl ethyl ester [ACD/Index Name]
1-((2-Carbamothioylhydrazono)methyl)isoquinolin-5-yl ethyl carbonate
40069-45-2 [RN]
5-ETHOXYCARBONYLOXY-1-FORMYLISOQUINOLINE THIOSEMICARBAZONE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 535.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.9±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 83.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.92
ACD/KOC (pH 5.5): 433.63
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.88
ACD/KOC (pH 7.4): 433.07
Polar Surface Area: 131 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 230.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement