ChemSpider 2D Image | (2E)-3-Amino-2-[(E)-(6-oxo-2,4-cyclohexadien-1-ylidene)methyl]-3-sulfanylacrylic acid | C10H9NO3S

(2E)-3-Amino-2-[(E)-(6-oxo-2,4-cyclohexadien-1-ylidene)methyl]-3-sulfanylacrylic acid

  • Molecular FormulaC10H9NO3S
  • Average mass223.248 Da
  • Monoisotopic mass223.030319 Da
  • ChemSpider ID107437897

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Amino-2-[(E)-(6-oxo-2,4-cyclohexadien-1-yliden)methyl]-3-sulfanylacrylsäure [German] [ACD/IUPAC Name]
(2E)-3-Amino-2-[(E)-(6-oxo-2,4-cyclohexadien-1-ylidene)methyl]-3-sulfanylacrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-amino-3-mercapto-2-[(E)-(6-oxo-2,4-cyclohexadien-1-ylidene)methyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-amino-2-[(E)-(6-oxo-2,4-cyclohexadién-1-ylidène)méthyl]-3-sulfanylacrylique [French] [ACD/IUPAC Name]
851288-83-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 348.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.2±6.0 kJ/mol
Flash Point: 164.7±27.9 °C
Index of Refraction: 1.762
Molar Refractivity: 59.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.03
ACD/LogD (pH 7.4): -2.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 92.2±3.0 dyne/cm
Molar Volume: 145.3±3.0 cm3

Click to predict properties on the Chemicalize site


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