Formula |
C9H13N5S |
IUPAC Name |
2-amino-9-butyl-3,8-dihydropurine-1,2,4,5,7,8-hexaide-6-thione |
Molecular Mass |
223.298 g·mol−1 |
Heat of Formation |
294.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.85 ± 1.08 D |
Volume |
267.9 Å 3 |
Surface Area |
255.28 Å 2 |
HOMO Energy |
-7.90 ± 0.55 eV |
LUMO Energy |
-1.19 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-amino-9-butyl-3h-purine-6-thione
- 6h-purine-6-thione, 2-amino-9-butyl-1,9-dihydro-
- 9-(n-butyl)-6-thioguanine
- 9-btg
- 9-butyl-6-thioguanine
- 9h-purine-6(1h)-thione, 2-amino-9-butyl-
- 9h-purine-6-thiol, 2-amino-9-butyl-
- pc 246
- sk 25531
|
CAS Number(s) |
|
InChIKey |
RNDPRLLVMLFXLY-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
|
|
|