| Formula |
C16H12N4O3S |
| IUPAC Name |
2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile |
| Molecular Mass |
340.356 g·mol−1 |
| Heat of Formation |
-5.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.53 ± 1.08 D |
| Volume |
378.31 Å 3 |
| Surface Area |
329.08 Å 2 |
| HOMO Energy |
-9.13 ± 0.55 eV |
| LUMO Energy |
-1.73 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxyethylthio)dinicotinonitrile
- 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxyethylthio)pyridine-3,5-dicarbonitrile
|
| InChIKey |
KQKVGJJOJHCKQA-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
|
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