5-Amino-3-Methyl-1,2-Thiazole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C5H6N2O2S
IUPAC Name 5-amino-3-methyl-isothiazole-4-carboxylic acid
Molecular Mass 158.178 g·mol−1
Heat of Formation -282.7 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 166.8 Å 3
Surface Area 167.35 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-methyl-5-aminoisothiazolo-4-carboxylic acid
  • 4-isothiazolecarboxylic acid, 5-amino-3-methyl-
  • 5-amino-3-methyl-4-isothiazolecarboxylic acid
InChIKey AQBUEVXOULPURO-UHFFFAOYSA-N
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