ChemSpider 2D Image | 1-[(E)-(Carbamothioylhydrazono)methyl]-5-isoquinolinyl phenyl carbonate | C18H14N4O3S

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

  • Molecular FormulaC18H14N4O3S
  • Average mass366.394 Da
  • Monoisotopic mass366.078674 Da
  • ChemSpider ID57456989

  • 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-phenylcarbonat [German] [ACD/IUPAC Name]
1-[(E)-(Carbamothioylhydrazono)methyl]-5-isoquinolinyl phenyl carbonate [ACD/IUPAC Name]
Carbonate de 1-[(E)-(carbamothioylhydrazono)méthyl]-5-isoquinoléinyle et de phényle [French] [ACD/IUPAC Name]
Carbonic acid, 1-[(E)-[2-(aminothioxomethyl)hydrazinylidene]methyl]-5-isoquinolinyl phenyl ester [ACD/Index Name]
1-((2-Carbamothioylhydrazono)methyl)isoquinolin-5-yl phenyl carbonate
37102-50-4 [RN]
5-PHENOXYCARBONYLOXY-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: 577.2±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 302.9±30.9 °C
Index of Refraction: 1.673
Molar Refractivity: 99.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 188.77
ACD/KOC (pH 5.5): 1481.56
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 188.51
ACD/KOC (pH 7.4): 1479.53
Polar Surface Area: 131 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 266.6±7.0 cm3

Click to predict properties on the Chemicalize site


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