ChemSpider 2D Image | (2Z)-2-(1H-Indol-3-ylmethylene)-N-(3-methylphenyl)hydrazinecarbothioamide | C17H16N4S

(2Z)-2-(1H-Indol-3-ylmethylene)-N-(3-methylphenyl)hydrazinecarbothioamide

  • Molecular FormulaC17H16N4S
  • Average mass308.401 Da
  • Monoisotopic mass308.109558 Da
  • ChemSpider ID21223106

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(1H-Indol-3-ylmethylen)-N-(3-methylphenyl)hydrazincarbothioamid [German] [ACD/IUPAC Name]
(2Z)-2-(1H-Indol-3-ylmethylene)-N-(3-methylphenyl)hydrazinecarbothioamide [ACD/IUPAC Name]
(2Z)-2-(1H-Indol-3-ylméthylène)-N-(3-méthylphényl)hydrazinecarbothioamide [French] [ACD/IUPAC Name]
Hydrazinecarbothioamide, 2-(1H-indol-3-ylmethylene)-N-(3-methylphenyl)-, (2Z)- [ACD/Index Name]
(2Z)-2-(1H-indol-3-ylmethylidene)-N-(3-methylphenyl)hydrazinecarbothioamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL512927/
Indole-3-carboxaldehyde-N(4)m-toluidinethiosemicarbazone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.5±30.7 °C
Index of Refraction: 1.672
Molar Refractivity: 92.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1413.02
ACD/KOC (pH 5.5): 6258.47
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1409.22
ACD/KOC (pH 7.4): 6241.66
Polar Surface Area: 84 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 247.4±7.0 cm3

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