2-Amino-5-(Phenylsulfanyl)-1,9-Dihydro-4H-Pyrimido[4,5-B]Indol-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C16H22N4OS
IUPAC Name 2-amino-5-phenylsulfanyl-6,7,8,9-tetrahydro-3h-pyrimido[4,5-b]indole-1,2,4a,4b,5,6,7,8,8a,9a-decaid-4-one
Molecular Mass 318.437 g·mol−1
Heat of Formation 191.3 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 338.29 Å 3
Surface Area 304.73 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey RURPYDOTPJEGPP-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N