6-[(4-Methoxybenzyl)Sulfanyl]-2,4-Pyrimidinediamine

Molecule SVG Image

Properties Simple | Detailed

Formula C12H14N4OS
IUPAC Name 6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine
Molecular Mass 262.331 g·mol−1
Heat of Formation 44.0 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 304.33 Å 3
Surface Area 289.75 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 2.97 ± eV
Point Group Symmetry C1
InChIKey SMBANLHZRGNZKV-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N