thiophen-2-ylmethanaminium | SBID = 2521 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 35.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 0.61
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C5H8NS+
M / g/mol: 114.18872
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: thiophen-2-ylmethanaminium
  • Preferred Abbreviation: thiophen-2-ylmethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1099
  • InChiKey: FKKJJPMGAWGYPN-UHFFFAOYSA-O
  • InChi: InChI=1S/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2/p+1
  • CanoSmiles: [NH3+]Cc1cccs1
  • IsoSmiles: [H][N+]([H])([H])CC1=CC=CS1