| Formula |
C9H9NS |
| IUPAC Name |
2-isothiocyanatoethylbenzene |
| Molecular Mass |
163.239 g·mol−1 |
| Heat of Formation |
215.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.09 ± 1.08 D |
| Volume |
205.48 Å 3 |
| Surface Area |
210.47 Å 2 |
| HOMO Energy |
-8.82 ± 0.55 eV |
| LUMO Energy |
-0.27 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2-isothiocyanatoethyl)benzene
- .beta.-phenethyl isothiocyanate
- .beta.-phenylethyl isothiocyanate
- 2-phenylethyl isothiocyanate
- benzene, (2-isothiocyanatoethyl)-
- beta-phenylethyl isothiocyanate
- isothiocyanic acid, phenethyl ester
- phenethyl mustard oil
- phenylaethylsenfoel
- phenylethyl isothiocyanate
- phenylethyl mustard oil
- zero/008133
|
| CAS Number(s) |
|
| InChIKey |
IZJDOKYDEWTZSO-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
Wikipedia
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
H
S
C
N
|
| |
|
