2-Mercapto-4-Methyl-5-Thiazoleacetic Acid

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Properties Simple | Detailed

Formula C6H7NO2S2
IUPAC Name 2-(4-methyl-2-thioxo-thiazol-5-yl)acetic acid
Molecular Mass 189.255 g·mol−1
Heat of Formation -287.2 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 206.29 Å 3
Surface Area 200.05 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-dihydro-4-methyl-2-thioxothiazol-5-acetic acid
  • 2-(4-methyl-2-sulfanylidene-3h-1,3-thiazol-5-yl)acetic acid
  • 2-(4-methyl-2-sulfanylidene-3h-1,3-thiazol-5-yl)ethanoic acid
  • 2-(4-methyl-2-thioxo-3h-thiazol-5-yl)acetic acid
  • 5-thiazoleacetic acid, 2-mercapto-4-methyl-
  • t5614852
CAS Number(s)
  • 34272-64-5
InChIKey KYBOCQHDFLVQIB-UHFFFAOYSA-N
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