| Formula |
C4H7NS |
| IUPAC Name |
1-isothiocyanatopropane |
| Molecular Mass |
101.170 g·mol−1 |
| Heat of Formation |
78.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.08 ± 1.08 D |
| Volume |
132.78 Å 3 |
| Surface Area |
145.04 Å 2 |
| HOMO Energy |
-8.83 ± 0.55 eV |
| LUMO Energy |
-0.34 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- isothiocyanic acid, propyl ester
- propane, 1-isothiocyanato-
- propyl isothiocyanate
- tl 01934
|
| CAS Number(s) |
|
| InChIKey |
KKASGUHLXWAKEZ-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
S
N
|
| |
|
