ChemSpider 2D Image | (2Z)-3-[6-(Methylsulfanyl)-4-oxo-3(4H)-quinazolinyl]acrylic acid | C12H10N2O3S

(2Z)-3-[6-(Methylsulfanyl)-4-oxo-3(4H)-quinazolinyl]acrylic acid

  • Molecular FormulaC12H10N2O3S
  • Average mass262.284 Da
  • Monoisotopic mass262.041199 Da
  • ChemSpider ID23212251

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-[6-(Methylsulfanyl)-4-oxo-3(4H)-chinazolinyl]acrylsäure [German] [ACD/IUPAC Name]
(2Z)-3-[6-(Methylsulfanyl)-4-oxo-3(4H)-quinazolinyl]acrylic acid [ACD/IUPAC Name]
(2Z)-3-[6-(methylsulfanyl)-4-oxoquinazolin-3(4H)-yl]prop-2-enoic acid
2-Propenoic acid, 3-[6-(methylthio)-4-oxo-3(4H)-quinazolinyl]-, (2Z)- [ACD/Index Name]
Acide (2Z)-3-[6-(méthylsulfanyl)-4-oxo-3(4H)-quinazolinyl]acrylique [French] [ACD/IUPAC Name]
(2Z)-3-[6-(methylsulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]prop-2-enoic acid
3-(6-Methylsulfanyl-4-oxo-4H-quinazolin-3-yl)-acrylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 499.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 255.8±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 69.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.72
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 189.8±7.0 cm3

Click to predict properties on the Chemicalize site


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