| Formula |
C21H20N2O2S2 |
| IUPAC Name |
4-[1-[(4-methylbenzothiophen-3-yl)methyl]benzimidazol-1-ium-2-yl]sulfanylbutanoic acid |
| Molecular Mass |
396.526 g·mol−1 |
| Heat of Formation |
-61.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.69 ± 1.08 D |
| Volume |
459.28 Å 3 |
| Surface Area |
402.88 Å 2 |
| HOMO Energy |
-8.49 ± 0.55 eV |
| LUMO Energy |
2.37 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[1-[(4-methyl-1-benzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid
- 4-[1-[(4-methylbenzothiophen-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid
- 4-[[1-[(4-methyl-3-benzothiophenyl)methyl]-2-benzimidazolyl]thio]butanoic acid
- 4-[[1-[(4-methylbenzothiophen-3-yl)methyl]benzimidazol-2-yl]thio]butyric acid
|
| InChIKey |
YSOMBHFITHOMPW-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
S
O
N
|
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