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Home> Hot Product Listed F   > F5140-0412
148899-60-9 structure

F5140-0412

Iupac Name:2-ethoxy-4H-1,3-benzoxathiin-6-amine
CAS No.:148899-60-9
Molecular Weight:211.279
Molecular Formula:C18H25N3O2 (isomer)
Names and Identifiers
Synonyms

AKOS024500021 MCULE-1938926446 MOLPORT-009-726-662 n-(6-methylpyridin-2-yl)-1-(methylsulfonyl)piperidine-3-carboxamide

Inchi
InChI=1S/C10H13NO2S/c1-2-12-10-13-9-4-3-8(11)5-7(9)6-14-10/h3-5,10H,2,6,11H2,1H3
InChkey
HODLGPBQXWRDPK-UHFFFAOYSA-N
Canonical Smiles
CCOC1OC2=C(CS1)C=C(C=C2)N
Computational chemical data
  • Molecular Weight:211.279g/mol
  • Molecular Formula:C18H25N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:211.067
  • Monoisotopic Mass:211.067
  • Complexity:191
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:69.8A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMABAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAACRAAAAHgQQAAAADAyl2AOyzoBABAiA AiRCQACCCAAgIhAIiAAGbIgcJiKksZugMCBk0BEM6AewwCAOAEAAQAAIAAAAgACAABAAAAAAAAAA AA==
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