| Formula |
C12H12N6OS |
| IUPAC Name |
2-[(5-amino-4-aza-2-azonia-1-azanidacyclopenta-2,4-dien-3-yl)sulfanylmethyl]-8-methyl-6h-quinazolin-3-ium-6-id-4-one |
| Molecular Mass |
288.328 g·mol−1 |
| Heat of Formation |
205.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
12.15 ± 1.08 D |
| Volume |
319.87 Å 3 |
| Surface Area |
279.96 Å 2 |
| HOMO Energy |
-8.92 ± 0.55 eV |
| LUMO Energy |
2.27 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[[(5-amino-1h-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1h-quinazolin-4-one
|
| InChIKey |
QKVQIWSGFFADDR-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
|
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