Formula |
C6H5NO2S |
IUPAC Name |
2-thioxopyridine-3-carboxylic acid |
Molecular Mass |
155.174 g·mol−1 |
Heat of Formation |
-186.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.56 ± 1.08 D |
Volume |
169.0 Å 3 |
Surface Area |
170.72 Å 2 |
HOMO Energy |
-8.60 ± 0.55 eV |
LUMO Energy |
-1.67 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-mercapto-nicotinic acid
- 2-mercaptopyridine-3-carboxylic acid
- 2-sulfanylidene-1h-pyridine-3-carboxylic acid
- 2-sulfanylnicotinic acid
- 2-thioxo-1h-pyridine-3-carboxylic acid
- 3-pyridinecarboxylic acid, 1,2-dihydro-2-thioxo-
- aj-333/25022066
|
InChIKey |
WYKHFQKONWMWQM-UHFFFAOYSA-N |
QR Code |
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Links |
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|
DOI |
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Downloads |
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|
Elements |
H
S
C
O
N
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