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Home> Hot Product Listed A   > AKOS006187904
5439-58-7 structure

AKOS006187904

CAS No.:5439-58-7
Molecular Weight:199.78172
Molecular Formula:C11H17CL2NO2 (isomer)
Names and Identifiers
Synonyms

659743-40-5 n2-(tetrahydropyran-4-yl)benzothiazole-2,6-diamine SCHEMBL5253879

Inchi
InChI=1S/C4H8OS2.Cu/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);
Canonical Smiles
CC(C)OC(=S)S.[Cu]
Isomers Smiles
CC(C)OC(=S)S.[Cu]
Computational chemical data
  • Molecular Weight:199.78172g/mol
  • Molecular Formula:C11H17CL2NO2
  • Exact Mass:198.931257
  • Monoisotopic Mass:198.931257
  • Complexity:70.1
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:42.3
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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