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
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Synonyms
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- (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
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InChIKey |
OBOJQFIBBALTIN-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
H
S
C
O
N
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