Formula |
C15H13NO3S2 |
IUPAC Name |
2-[(5e)-5-[(e)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid |
Molecular Mass |
319.399 g·mol−1 |
Heat of Formation |
-235.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.41 ± 1.08 D |
Volume |
364.9 Å 3 |
Surface Area |
320.44 Å 2 |
HOMO Energy |
-8.93 ± 0.55 eV |
LUMO Energy |
1.39 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[(5e)-4-keto-5-[(e)-2-methyl-3-phenyl-prop-2-enylidene]-2-thioxo-thiazolidin-3-yl]acetic acid
- 2-[(5e)-5-[(e)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid
- 2-[(5e)-5-[(e)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
- 2-[(5e)-5-[(e)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
- 2-[(5e)-5-[(e)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-3-thiazolidinyl]acetic acid
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InChIKey |
CHNUOJQWGUIOLD-SMTGYRLFSA-N |
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Elements |
H
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N
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