2-Amino-4-(Methylsulfanyl)-6-Oxo-6H-1,3-Oxazine-5-Carbonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C6H5N3O2S
IUPAC Name 2-amino-4-methylsulfanyl-6-oxo-1,3-oxazine-5-carbonitrile
Molecular Mass 183.188 g·mol−1
Heat of Formation -103.7 ± 16.7 kJ·mol−1
Dipole Moment 9.32 ± 1.08 D
Volume 194.97 Å 3
Surface Area 195.75 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-amino-4-(methylthio)-6-oxo-1,3-oxazine-5-carbonitrile
  • 2-amino-6-keto-4-(methylthio)-1,3-oxazine-5-carbonitrile
InChIKey UOWFOHSDCUOIRV-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N