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Home> Hot Product Listed M   > MCULE-5449350090
709649-71-8 structure

MCULE-5449350090

Iupac Name:N-methyl-1-thieno[3,2-c]pyridin-2-ylmethanamine
CAS No.:709649-71-8
Molecular Weight:178.253
Molecular Formula:C14H18N4O2S (isomer)
Names and Identifiers
Synonyms

2-(4-fluorophenyl)-n-[1-(2-methylpropyl)-1h-imidazol-2-yl]cyclopropane-1-carboxamide MOLPORT-019-673-840 Z956336546

Inchi
InChI=1S/C9H10N2S/c1-10-6-8-4-7-5-11-3-2-9(7)12-8/h2-5,10H,6H2,1H3
InChkey
NRLQDHIBSGMYGV-UHFFFAOYSA-N
Canonical Smiles
CNCC1=CC2=C(S1)C=CN=C2
Computational chemical data
  • Molecular Weight:178.253g/mol
  • Molecular Formula:C14H18N4O2S
  • Compound Is Canonicalized:True
  • Exact Mass:178.056
  • Monoisotopic Mass:178.056
  • Complexity:152
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:53.2A^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: AAADccBzAABAAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAFgB+AAAHAQQAAAADADBWgQ+gdLIEAik AjBnRACDgKAxCjBI2Lg4ZJgIIOLgkZGEIAxggADoyAcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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