2-(Carboxymethylthio)Benzothiazole

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Properties Simple | Detailed

Formula C9H7NO2S2
IUPAC Name 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
Molecular Mass 225.287 g·mol−1
Heat of Formation -162.2 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 238.76 Å 3
Surface Area 233.15 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (benzothiazol-2-ylsulfanyl)-acetic acid
  • (benzothiazol-2-ylthio)acetic acid
  • 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoic acid
  • 2-(1,3-benzothiazol-2-ylthio)acetic acid
  • 2-(2-benzothiazolylthio)acetic acid
  • 2-carboxymethylthiobenzothiazole
  • acetic acid, (2-benzothiazolylthio)-
  • bas 02709416
  • cbdive_001818
  • chemdiv1_000008
  • s-2-(benzothiazolylthio)glycolic acid
  • s-2-benzothiazolylthioglycolic acid
  • tos-bb-1234
CAS Number(s)
  • 6295-57-4
InChIKey ZZUQWNYNSKJLPI-UHFFFAOYSA-N
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