Formula |
C6H6N4S |
IUPAC Name |
6-methylsulfanyl-7h-purine-1,3,9-triium-5-ide |
Molecular Mass |
166.204 g·mol−1 |
Heat of Formation |
303.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.74 ± 1.08 D |
Volume |
181.75 Å 3 |
Surface Area |
181.53 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
-1.42 ± 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) |
|
InChIKey |
UIJIQXGRFSPYQW-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
S
C
N
|
|
|