| Formula |
C17H21N3S2 |
| IUPAC Name |
2-tert-butyl-6-isothiocyanato-5-(1-piperidyl)-1,3-benzothiazole |
| Molecular Mass |
331.499 g·mol−1 |
| Heat of Formation |
238.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.27 ± 1.08 D |
| Volume |
404.59 Å 3 |
| Surface Area |
345.25 Å 2 |
| HOMO Energy |
-8.47 ± 0.55 eV |
| LUMO Energy |
-1.22 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-tert-butyl-6-isothiocyanato-5-piperidin-1-yl-1,3-benzothiazole
- 2-tert-butyl-6-isothiocyanato-5-piperidino-1,3-benzothiazole
- benzothiazole, 2-(1,1-dimethylethyl)-6-isothiocyanato-5-(1-piperidinyl)-
- cgi 16343
- cgi-16343
|
| CAS Number(s) |
|
| InChIKey |
PBIZIHYWQIESKS-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
N
|
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