• 
  [Synonyms]
  NSC18203
  93604-41-2
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	222.30336 [g/mol]
  Molecular Formula	C12H14O2S
  XLogP	2.4
  H-Bond Donor	1
  H-Bond Acceptor	2
  Rotatable Bond Count	3
  Exact Mass	222.07145
  MonoIsotopic Mass	222.07145
  Topological Polar Surface Area	37.3
  Heavy Atom Count	15
  Formal Charge	0
  Complexity	224
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	2
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: S-[(1R,2R)-2-hydroxycyclopentyl] benzenecarbothioate
  Canonical SMILES: C1CC(C(C1)SC(=O)C2=CC=CC=C2)O
  Isomeric SMILES: C1C[C@H]([C@@H](C1)SC(=O)C2=CC=CC=C2)O
  InChI: InChI=1/C12H14O2S/c13-10-7-4-8-11(10)15-12(14)9-5-2-1-3-6-9/h1-3,5-6,
  10-11,13H,4,7-8H2/t10-,11-/m1/s1