2-Thioxo-2,3-Dihydro-1,3-Thiazole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C4H3NO2S2
IUPAC Name 2-thioxothiazole-4-carboxylic acid
Molecular Mass 161.202 g·mol−1
Heat of Formation -191.3 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 164.09 Å 3
Surface Area 167.01 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-sulfanylidene-3h-1,3-thiazole-4-carboxylic acid
  • 2-thioxo-3h-thiazole-4-carboxylic acid
InChIKey UZWWFFJHMATGGR-UHFFFAOYSA-N
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