| Formula |
C6H11NS2 |
| IUPAC Name |
1-isothiocyanato-4-methylsulfanyl-butane |
| Molecular Mass |
161.288 g·mol−1 |
| Heat of Formation |
86.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.55 ± 1.08 D |
| Volume |
179.64 Å 3 |
| Surface Area |
173.15 Å 2 |
| HOMO Energy |
-8.65 ± 0.55 eV |
| LUMO Energy |
-0.09 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-isothiocyanato-4-(methylthio)butane
- 1-isothiocyanato-4-methylsulfanylbutane
- 4-(methylthio)butyl isothiocyanate
- butane, 1-isothiocyanato-4-(methylthio)-
- erucin
|
| CAS Number(s) |
|
| InChIKey |
IHQDGXUYTSZGOG-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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