6-Amino-2-Mercaptobenzothiazole

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Properties Simple | Detailed

Formula C7H6N2S2
IUPAC Name 6-amino-3h-1,3-benzothiazole-2-thione
Molecular Mass 182.266 g·mol−1
Heat of Formation 203.9 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 198.27 Å 3
Surface Area 194.89 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 2(3h)-benzothiazolethione, 6-amino-
  • 2-benzothiazolethiol, 6-amino-
  • 6-amino-2-benzothiazolethiol
  • 6-aminobenzothiazole-2-thiol
  • benzothiazole, 2-mercapto-6-amino-
  • benzothiazole, 6-amino-2-mercapto-
  • oprea1_252897
  • usaf xr-30
CAS Number(s)
  • 7442-07-1
InChIKey IDPNFKLUBIKHSW-UHFFFAOYSA-N
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