6-Methylmercaptopurine

Molecule SVG Image

Properties Simple | Detailed

Formula C6H7N4S
IUPAC Name 6-methylsulfanyl-7h-purine-1,3,9-triium-5-ide
Molecular Mass 167.212 g·mol−1
Heat of Formation 303.8 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 182.6 Å 3
Surface Area 181.51 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine, 6-(methylthio)-
  • 1h-purine, 6-(methylthio)- (9ci)
  • 6-(methylsulfanyl)-9h-purine
  • 6-(methylthio)-7h-purine
  • 6-(methylthio)purine
  • 6-methyl mp
  • 6-methylsulfanyl-7h-purine
  • 6-methylthiopurine
  • purine, 6-(methylthio)-
  • s-methyl-6-mercaptopurine
  • sdccgmls-0065452.p001
  • sq 8,343
  • sq 8343
  • thiopurine s-methylether
CAS Number(s)
  • 50-66-8
InChIKey UIJIQXGRFSPYQW-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C N