Ro 22-3747/000

Molecule SVG Image

Properties Simple | Detailed

Formula C12H10N2O3S
IUPAC Name (e)-3-(6-methylsulfanyl-4-oxo-quinazolin-3-yl)prop-2-enoic acid
Molecular Mass 262.284 g·mol−1
Heat of Formation -299.9 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 289.09 Å 3
Surface Area 274.08 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 1.39 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(6-(methylthio)-4-oxo-3(4h)-quinazolinyl)-2-propenoic acid
  • (e)-3-(6-methylsulfanyl-4-oxo-quinazolin-3-yl)prop-2-enoic acid
  • (e)-3-[4-keto-6-(methylthio)quinazolin-3-yl]acrylic acid
  • (e)-3-[6-(methylthio)-4-oxo-3-quinazolinyl]prop-2-enoic acid
  • (e)-6-(methylthio)-4-oxo-3(4h)-quinazolineacrylic acid
  • 2-propenoic acid, 3-(6-(methylthio)-4-oxo-3(4h)-quinazolinyl)-, (e)-
  • d06123
  • ro 22-3747
  • ro 223747
  • ro-22-3747
  • ro-22-3747/000
  • ro-22-3747/007
  • tiacrilast
  • tiacrilast (usan)
CAS Number(s)
  • 78299-53-3
InChIKey VHFPVEGFRVEDBK-SNAWJCMRSA-N
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