N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium | SBID = 2456 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.29
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: C18H24NS2+
M / g/mol: 318.51986
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium
  • Preferred Abbreviation: N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1052
  • InChiKey: LRLHMTSLKTYEAU-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H24NS2/c1-19(2,13-15-5-9-17(20-3)10-6-15)14-16-7-11-18(21-4)12-8-16/h5-12H,13-14H2,1-4H3/q+1
  • CanoSmiles: CSc1ccc(cc1)C[N+](Cc1ccc(cc1)SC)(C)C
  • IsoSmiles: C[N+](CC1=CC=C(SC)C=C1)(C)CC2=CC=C(SC)C=C2