| Formula |
C13H9NO2S |
| IUPAC Name |
4-(1,3-benzothiazol-3-ium-7a-id-2-yl)-4-hydroxy-cyclohexa-2,5-dien-1-one |
| Molecular Mass |
243.281 g·mol−1 |
| Heat of Formation |
35.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.25 ± 1.08 D |
| Volume |
269.01 Å 3 |
| Surface Area |
247.58 Å 2 |
| HOMO Energy |
-9.40 ± 0.55 eV |
| LUMO Energy |
-1.29 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-(1,3-benzothiazol-2-yl)-4-hydroxy-1-cyclohexa-2,5-dienone
- 4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one
- 4-benzothiazol-2-yl-4-hydroxy-cyclohexa-2,5-dienone
|
| InChIKey |
SDYBYKXWYDVVKP-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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