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Home> Hot Product Listed E   > Ethenamine, 2-(4-chloro-5-methoxy-2-nitrophenyl)-N,N-dimethyl-
87444-32-4 structure

Ethenamine, 2-(4-chloro-5-methoxy-2-nitrophenyl)-N,N-dimethyl-

Iupac Name:2,5,6-trimethyl-[1,3]thiazolo[4,5-b]pyrazine
CAS No.:87444-32-4
Molecular Weight:179.241
Molecular Formula:C15H14CL2N2S2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C8H9N3S/c1-4-5(2)10-8-7(9-4)11-6(3)12-8/h1-3H3
InChkey
IBDDAFOQFKGJNS-UHFFFAOYSA-N
Canonical Smiles
CC1=C(N=C2C(=N1)N=C(S2)C)C
Computational chemical data
  • Molecular Weight:179.241g/mol
  • Molecular Formula:C15H14CL2N2S2
  • Compound Is Canonicalized:True
  • Exact Mass:179.052
  • Monoisotopic Mass:179.052
  • Complexity:176
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.9A^2
  • Heavy Atom Count:12
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADccBzAABAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHAQAAAAACAiBVwADsR4IEAik AQZgZAAA8K1BGLgBGAQwUACASEBACAAUAAAIAALgACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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