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Search term: MJRGTILOYNDXDS-RQZCQDPDSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | Methyl 3-[(2E)-2-(1H-indol-3-ylmethylene)hydrazino]-2-thiophenecarboxylate | C15H13N3O2S

Methyl 3-[(2E)-2-(1H-indol-3-ylmethylene)hydrazino]-2-thiophenecarboxylate

  • Molecular FormulaC15H13N3O2S
  • Average mass299.348 Da
  • Monoisotopic mass299.072845 Da
  • ChemSpider ID21539868
  • Double-bond stereo - Double-bond stereo


More details:






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

2-Thiophenecarboxylic acid, 3-[(2E)-2-(1H-indol-3-ylmethylene)hydrazinyl]-, methyl ester [ACD/Index Name]
3-[(2E)-2-(1H-Indol-3-ylméthylène)hydrazino]-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[(2E)-2-(1H-indol-3-ylmethylene)hydrazino]-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-[(2E)-2-(1H-indol-3-ylmethylen)hydrazino]-2-thiophencarboxylat [German] [ACD/IUPAC Name]
methyl 3-[(2E)-2-(1H-indol-3-ylmethylene)hydrazino]thiophene-2-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 527.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.1±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 83.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 762.58
ACD/KOC (pH 5.5): 4023.04
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 763.72
ACD/KOC (pH 7.4): 4029.06
Polar Surface Area: 95 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 220.1±7.0 cm3

Click to predict properties on the Chemicalize site






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