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Home> Hot Product Listed 1   > 1H-Pyrrole-3-carboxamide,N,2-dimethyl-(9CI)
24898-62-2 structure

1H-Pyrrole-3-carboxamide,N,2-dimethyl-(9CI)

Iupac Name:N-[(Z)-isoquinolin-1-ylmethylideneamino]pyrrolidine-1-carbothioamide
CAS No.:24898-62-2
Molecular Weight:284.381g/mol
Molecular Formula:C10H10N4OS (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C15H16N4S/c20-15(19-9-3-4-10-19)18-17-11-14-13-6-2-1-5-12(13)7-8-16-14/h1-2,5-8,11H,3-4,9-10H2,(H,18,20)/b17-11-
InChkey
BIPHDBGCGJSQGC-BOPFTXTBSA-N
Canonical Smiles
C1CCN(C1)C(=S)NN=CC2=NC=CC3=CC=CC=C32
Properties
Boiling Point
°Cat760mmHg
Computational chemical data
  • Molecular Weight:284.381g/molg/mol
  • Molecular Formula:C10H10N4OS
  • Compound Is Canonicalized:True
  • Exact Mass:284.11
  • Monoisotopic Mass:284.11
  • Complexity:365
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:72.6A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzgABAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAACx8AAAHAQYAAAADAjBHgQ9gNNqEACk AzRnRACSgCAxAikM2CA4ZJiIIOLAkZGEIAhgiALIyAcQgIAOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
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