2-Phenoxathiin-2-ylquinoxaline | SBID = 416 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 60.3
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 4.5
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 252.6
Sum Formula: C20H12N2OS
M / g/mol: 328.389
Complexity: 447.0
Number of Conformers: 5.0

Identifiers

  • Tags: typical guest
  • Name: 2-Phenoxathiin-2-ylquinoxaline
  • Preferred Abbreviation: 2-Phenoxathiin-2-ylquinoxaline
  • IUPAC Name: 2-phenoxathiin-2-ylquinoxaline
  • CAS:
  • CID: 403358
  • InChiKey: QNHICTKUHKZFSE-UHFFFAOYSA-N
  • InChi: InChI=1S/C20H12N2OS/c1-2-6-15-14(5-1)21-12-16(22-15)13-9-10-18-20(11-13)24-19-8-4-3-7-17(19)23-18/h1-12H
  • CanoSmiles: C1=CC=C2C(=C1)N=CC(=N2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4
  • IsoSmiles: C1=CC=C2C(=C1)N=CC(=N2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4