Formula |
C9H6N2S |
IUPAC Name |
1h-isothiazolo[5,4-b]indol-1-ylium-4-ide |
Molecular Mass |
174.222 g·mol−1 |
Heat of Formation |
387.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.34 ± 1.08 D |
Volume |
191.65 Å 3 |
Surface Area |
189.08 Å 2 |
HOMO Energy |
-8.38 ± 0.55 eV |
LUMO Energy |
-1.22 ± eV |
Point Group Symmetry |
Cs
|
Synonyms
|
- 2h-isothiazolo[5,4-b]indole
- 8h-isothiazolo(5,4-b)indole
- brassilexin
- brassilexine
|
CAS Number(s) |
|
InChIKey |
YPQKRKAUPLJHDT-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
|
|
|