Formula |
C14H9NO2S |
IUPAC Name |
6-benzoyl-3h-1,3-benzothiazol-2-one |
Molecular Mass |
255.292 g·mol−1 |
Heat of Formation |
-77.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.29 ± 1.08 D |
Volume |
285.98 Å 3 |
Surface Area |
263.74 Å 2 |
HOMO Energy |
-9.14 ± 0.55 eV |
LUMO Energy |
-1.04 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 6-(oxo-phenylmethyl)-3h-1,3-benzothiazol-2-one
- 6-(phenylcarbonyl)-3-hydrobenzothiazol-2-one
- 6-bbo
- 6-benzoyl-2-benzothiazolinone
- 6-benzoyl-benzothiazolin-2-one der.
- 6-benzoylbenzothiazolin-2-one
- 6-phenylcarbonyl-3h-1,3-benzothiazol-2-one
- oprea1_181312
|
CAS Number(s) |
|
InChIKey |
LVYHRYBZGHHJEU-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
O
N
|
|
|