ChemSpider 2D Image | (2Z)-2-[(5-Amino-1-isoquinolinyl)methylene]hydrazinecarbothioamide | C11H11N5S

(2Z)-2-[(5-Amino-1-isoquinolinyl)methylene]hydrazinecarbothioamide

  • Molecular FormulaC11H11N5S
  • Average mass245.303 Da
  • Monoisotopic mass245.073517 Da
  • ChemSpider ID32750093
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-2-[(5-Amino-1-isochinolinyl)methylen]hydrazincarbothioamid [German] [ACD/IUPAC Name]
(2Z)-2-[(5-Amino-1-isoquinoléinyl)méthylène]hydrazinecarbothioamide [French] [ACD/IUPAC Name]
(2Z)-2-[(5-Amino-1-isoquinolinyl)methylene]hydrazinecarbothioamide [ACD/IUPAC Name]
Hydrazinecarbothioamide, 2-[(5-amino-1-isoquinolinyl)methylene]-, (2Z)- [ACD/Index Name]
20335-57-3 [RN]
Isoquinaldaldehyde, 5-amino-, thiosemicarbazone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 515.8±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 265.8±32.3 °C
Index of Refraction: 1.744
Molar Refractivity: 68.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 8.00
ACD/KOC (pH 5.5): 154.11
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 8.00
ACD/KOC (pH 7.4): 154.13
Polar Surface Area: 121 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 169.1±7.0 cm3

Click to predict properties on the Chemicalize site






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