(4Ar,10Ar)-6-Methoxy-4-Methyl-9-(Methylsulfanyl)-3,4,4A,5,10,10A-Hexahydro-2H-Naphtho[2,3-B][1,4]Oxazine

Molecule SVG Image

Properties Simple | Detailed

Formula C15H21NO2S
IUPAC Name (4r,4ar,10ar)-6-methoxy-4-methyl-9-methylsulfanyl-2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzoxazine
Molecular Mass 279.398 g·mol−1
Heat of Formation -245.7 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 340.84 Å 3
Surface Area 297.29 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,10ar)-6-methoxy-4-methyl-9-(methylthio)-2,3,4a,5,10,10a-hexahydronaphtho[2,3-b][1,4]oxazine
  • (4ar,10ar)-6-methoxy-4-methyl-9-methylsulfanyl-2,3,4a,5,10,10a-hexahydronaphtho[2,3-b][1,4]oxazine
  • 2h-naphth(2,3-b)-1,4-oxazine, 3,4,4a,5,10,10a-hexahydro-6-methoxy-4-methyl-9-(methylthio)-, (4ar-trans)-
  • 3,4,4a,5,10,10a-hexahydro-6-methoxy-4-methyl-9-methylthio-2h-naphth(2,3-b)-1,4-oxazine
  • sdz nvi 085
  • sdz nvi-085
  • sdz-nvi-085
CAS Number(s)
  • 104195-17-7
InChIKey SLMAGYSTRWJTMF-TZMCWYRMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N