| Formula |
C6H11NS |
| IUPAC Name |
1-isothiocyanato-3-methyl-butane |
| Molecular Mass |
129.223 g·mol−1 |
| Heat of Formation |
32.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.01 ± 1.08 D |
| Volume |
172.48 Å 3 |
| Surface Area |
173.37 Å 2 |
| HOMO Energy |
-8.80 ± 0.55 eV |
| LUMO Energy |
-0.71 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 3-methylbutyl isothiocyanate
- butane, 1-isothiocyanato-3-methyl-
|
| CAS Number(s) |
|
| InChIKey |
JATNWMBUDXLMEO-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
S
N
|
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