| Formula |
C22H25BrN2O3S |
| IUPAC Name |
6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1-methyl-2-(phenylsulfanylmethyl)indol-5-olate |
| Molecular Mass |
477.415 g·mol−1 |
| Heat of Formation |
-317.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.67 ± 1.08 D |
| Volume |
506.39 Å 3 |
| Surface Area |
412.79 Å 2 |
| HOMO Energy |
-8.41 ± 0.55 eV |
| LUMO Energy |
-0.70 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester
- 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester
- 6-bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2-phenylsulfanylmethyl-1h-indole-3-carboxylic acid ethyl ester
- 6-bromo-5-hydroxy-4-methylaminomethyl-1-methyl-2-benzenesulfenylmethylindole-3-ethyl carboxylate
- chemdiv1_000732
- ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
- oprea1_384852
- oprea1_482224
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| CAS Number(s) |
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| InChIKey |
KCFYEAOKVJSACF-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
C
H
O
N
S
Br
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