| Formula |
C9H9NOS |
| IUPAC Name |
1-(isothiocyanatomethyl)-3-methoxy-benzene |
| Molecular Mass |
179.239 g·mol−1 |
| Heat of Formation |
82.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.38 ± 1.08 D |
| Volume |
216.54 Å 3 |
| Surface Area |
219.71 Å 2 |
| HOMO Energy |
-8.70 ± 0.55 eV |
| LUMO Energy |
-0.45 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-(isothiocyanatomethyl)-3-methoxybenzene
- 3-methoxybenzyl isothiocyanate
- benzene, 1-(isothiocyanatomethyl)-3-methoxy-
|
| CAS Number(s) |
|
| InChIKey |
SSSDJJXWAVRNCM-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
|
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