| Formula |
C7H11NO2S |
| IUPAC Name |
ethyl 4-isothiocyanatobutanoate |
| Molecular Mass |
173.233 g·mol−1 |
| Heat of Formation |
-293.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.32 ± 1.08 D |
| Volume |
209.36 Å 3 |
| Surface Area |
218.19 Å 2 |
| HOMO Energy |
-8.90 ± 0.55 eV |
| LUMO Energy |
-0.39 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-isothiocyanatobutanoic acid ethyl ester
- 4-isothiocyanatobutyric acid ethyl ester
- butanoic acid, 4-isothiocyanato-, ethyl ester
- e-4ib
- ethyl 4-isothiocyanatobutyrate
|
| CAS Number(s) |
|
| InChIKey |
FAGABVVHWPYGBK-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
|
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