1,3-Benzoxazole-2(3H)-Thione

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Properties Simple | Detailed

Formula C7H5NOS
IUPAC Name 1,3-benzoxazole-2-thione
Molecular Mass 151.186 g·mol−1
Heat of Formation 76.3 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 165.13 Å 3
Surface Area 170.37 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-benzoxazol-2-ylhydrosulfide
  • 2(3h)-benzoxazolethione
  • 2-benzoxazolethiol
  • 2-benzoxazolethione
  • 2-benzoxazolinethione
  • 2-benzoxazolinethione (7ci)
  • 2-benzoxazolylthiol
  • 2-mercapto-1,3-benzoxazole
  • 2-mercaptobenzoxazole
  • 3h-1,3-benzoxazole-2-thione
  • benzooxazole-2-thiol
  • benzoxazole, 2-mercapto-
  • benzoxazole-2-thiol
  • benzoxazoline,2-thione
  • benzoxazolinethione
CAS Number(s)
  • 14955-23-8
  • 2382-96-9
InChIKey FLFWJIBUZQARMD-UHFFFAOYSA-N
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