| Formula |
C5H9NS |
| IUPAC Name |
1-isothiocyanatobutane |
| Molecular Mass |
115.197 g·mol−1 |
| Heat of Formation |
56.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.94 ± 1.08 D |
| Volume |
154.68 Å 3 |
| Surface Area |
168.67 Å 2 |
| HOMO Energy |
-8.81 ± 0.55 eV |
| LUMO Energy |
-0.73 ± eV |
| Point Group Symmetry |
Cs
|
| Synonyms
|
- butane, 1-isothiocyanato-
- butyl isothiocyanate
- butyl mustard oil
- isothiocyanic acid, butyl ester
- n-butyl isothiocyanate
- n-butyl mustard oil
- tl 00699
|
| CAS Number(s) |
|
| InChIKey |
LIMQQADUEULBSO-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
N
|
| |
|
