2-Metcapto-5-Chloro-Benzothiazole

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Properties Simple | Detailed

Formula C7H4ClNS2
IUPAC Name 5-chloro-3h-1,3-benzothiazole-2-thione
Molecular Mass 201.696 g·mol−1
Heat of Formation 173.0 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 208.59 Å 3
Surface Area 200.0 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry Cs
Synonyms
  • 2(3h)-benzothiazolethione, 5-chloro-
  • 2(3h)-benzothiazolethione, 5-chloro- (9ci)
  • 2-benzothiazolethiol, 5-chloro-
  • 5-chloro-1,3-benzothiazole-2-thiol
  • 5-chloro-2-benzothiazolethiol
  • 5-chloro-2-mercaptobenzothiazole
  • 5-chloro-3h-1,3-benzothiazole-2-thione
  • benzothiazole, 5-chloro-2-mercapto-
  • sh-benzothiazole
CAS Number(s)
  • 5331-91-9
InChIKey NKYDKCVZNMNZCM-UHFFFAOYSA-N
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Elements H S N C Cl