Cyclic sulfenamide-2a | SBID = 1353 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
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):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C16H13F3N3OS
M / g/mol: 352.3541296
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Cyclic sulfenamide-2a
  • Preferred Abbreviation: Cyclic sulfenamide-2a
  • IUPAC Name:
  • CAS:
  • CID: -486
  • InChiKey: BAAPXUXTTDPGER-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H13F3N3OS/c1-10-13-8-24-22-12-5-3-2-4-11(12)20-15(22)21(13)7-6-14(10)23-9-16(17,18)19/h2-7H,8-9H2,1H3
  • CanoSmiles: CC1=C(OCC(F)(F)F)C=C[N+]2=C1CSN3C2=NC4=CC=CC=C43
  • IsoSmiles: CC1=C(OCC(F)(F)F)C=C[N]2=C1CSn3c2nc4ccccc34