| Formula |
C8H7NS |
| IUPAC Name |
isothiocyanatomethylbenzene |
| Molecular Mass |
149.213 g·mol−1 |
| Heat of Formation |
250.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.26 ± 1.08 D |
| Volume |
183.11 Å 3 |
| Surface Area |
189.83 Å 2 |
| HOMO Energy |
-8.77 ± 0.55 eV |
| LUMO Energy |
-0.46 ± eV |
| Point Group Symmetry |
Cs
|
| Synonyms
|
- (isothiocyanatomethyl)benzene
- ab 2 (van)
- benzene, (isothiocyanatomethyl)-
- benzyl isothio cyanate
- benzyl isothiocyanate
- benzyl mustard oil
- benzyl-isothiocyanate
- benzylisothiocyanate
- benzylsenfoel
- isothiocyanic acid, benzyl ester
- qtl1_000013
- sdccgmls-0066697.p001
- toluene, .alpha.-isothiocyanato-
- toluene, alpha-isothiocyanato-
- tromacaps
- tromalyt
- urogran
- zero/008132
|
| CAS Number(s) |
|
| InChIKey |
MDKCFLQDBWCQCV-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
Wikipedia
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
N
|
| |
|
