| Formula |
C13H14N2OS |
| IUPAC Name |
s-(indol-1-ium-3-ylmethyl) n-allylcarbamothioate |
| Molecular Mass |
246.328 g·mol−1 |
| Heat of Formation |
53.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.28 ± 1.08 D |
| Volume |
299.59 Å 3 |
| Surface Area |
283.78 Å 2 |
| HOMO Energy |
-8.55 ± 0.55 eV |
| LUMO Energy |
-0.36 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (allylamino)methanethioic acid s-(1h-indol-3-ylmethyl) ester
- brussalexin a
- s-(1h-indol-3-ylmethyl) (allylamino)methanethioate
- s-(1h-indol-3-ylmethyl) (prop-2-enylamino)methanethioate
- s-(1h-indol-3-ylmethyl) allylthiocarbamate
- s-(1h-indol-3-ylmethyl) prop-2-en-1-ylcarbamothioate
- s-(1h-indol-3-ylmethyl) prop-2-en-1-ylthiocarbamate
|
| InChIKey |
OBOJQFIBBALTIN-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
|
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