ChemSpider 2D Image | 5-[(Ethylcarbamothioyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid | C23H18N2O5S

5-[(Ethylcarbamothioyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

  • Molecular FormulaC23H18N2O5S
  • Average mass434.464 Da
  • Monoisotopic mass434.094000 Da
  • ChemSpider ID25056916

More details:

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

5-[(Ethylcarbamothioyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoesäure [German] [ACD/IUPAC Name]
5-[(Ethylcarbamothioyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid [ACD/IUPAC Name]
5-{[(Z)-(Ethylimino)(sulfanyl)methyl]amino}-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoesäure [German] [ACD/IUPAC Name]
5-{[(Z)-(Ethylimino)(sulfanyl)methyl]amino}-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid [ACD/IUPAC Name]
Acide 5-[(éthylcarbamothioyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthén-9-yl)benzoïque [French] [ACD/IUPAC Name]
Acide 5-{[(Z)-(éthylimino)(sulfanyl)méthyl]amino}-2-(6-hydroxy-3-oxo-3H-xanthén-9-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[(ethylamino)thioxomethyl]amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- [ACD/Index Name]
Benzoic acid, 5-[[(Z)-(ethylimino)mercaptomethyl]amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- [ACD/Index Name]
FLUORESCEINYLTHIOUREIDO

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

Density: 1.5±0.0 g/cm3
Boiling Point: 712.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 109.4±0.0 kJ/mol
Flash Point: 384.9±0.0 °C
Index of Refraction: 1.758
Molar Refractivity: 116.8±0.0 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 85.43
ACD/KOC (pH 5.5): 325.20
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 2.74
ACD/KOC (pH 7.4): 10.42
Polar Surface Area: 140 Å2
Polarizability: 46.3±0.0 10-24cm3
Surface Tension: 88.2±0.0 dyne/cm
Molar Volume: 284.4±0.0 cm3

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